CYT

6-AMINOPYRIMIDIN-2(1H)-ONE

Created:	2007-01-29
Last modified:	2020-06-05

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17 entries where CYT is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	13
Chiral Atom Count	0
Bond Count	13
Aromatic Bond Count	6

2D diagram of CYT

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Chemical Component Summary
Name	6-AMINOPYRIMIDIN-2(1H)-ONE
Synonyms	CYTOSINE
Systematic Name (OpenEye OEToolkits)	4-amino-3H-pyrimidin-2-one
Formula	C₄ H₅ N₃ O
Molecular Weight	111.102
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C1N=CC=C(N)N1
SMILES	CACTVS	3.341	NC1=CC=NC(=O)N1
SMILES	OpenEye OEToolkits	1.5.0	C1=C(NC(=O)N=C1)N
Canonical SMILES	CACTVS	3.341	NC1=CC=NC(=O)N1
Canonical SMILES	OpenEye OEToolkits	1.5.0	C1=C(NC(=O)N=C1)N
InChI	InChI	1.03	InChI=1S/C4H5N3O/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8)
InChIKey	InChI	1.03	OPTASPLRGRRNAP-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	597, 5274263
ChEMBL	CHEMBL15913
ChEBI	CHEBI:16040
CCDC/CSD	CYTOSM12, CYTOSC04, CUKDAO, CYTOSM14, AMASUD, BUPMAB, CIHFEH, CYTSIN01, CYTOSM03, CYTFGL, EPAMAK, EFUNOJ, CYTOSM11, CIRVUV, CUKCUH, CIRWAC, CYTOSM13, CUVDUT, DOTGID, CUVDON, CYTOSM15, DUJCAN, CUVDUT01, CYTOSC, CYTSPD, CASCIJ, CYTSIN02, CTSGLM, DAVNEW, CUVDIH01, ACITEM, ADALAS, BADFOC, DCYTCA10, DUJCAN01, CYTOSM02, DAVPUO, DOTGOJ, EFUNUP, CYTSCA, CYTSIN, CYTZNC, CUVDIH, CYTCUC, DAVPOI, CYTOSM17
COD	4502583, 2019803

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.