PK2

6-amino-4-{2-[(cyclohexylmethyl)amino]ethyl}-2-(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one

Created:	2008-10-02
Last modified:	2011-06-04

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2 entries where PK2 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	54
Chiral Atom Count	0
Bond Count	57
Aromatic Bond Count	10

2D diagram of PK2

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Chemical Component Summary
Name	6-amino-4-{2-[(cyclohexylmethyl)amino]ethyl}-2-(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
Systematic Name (OpenEye OEToolkits)	6-amino-4-[2-(cyclohexylmethylamino)ethyl]-2-methylamino-1,7-dihydropyrimido[6,5-f]benzimidazol-8-one
Formula	C₁₉ H₂₇ N₇ O
Molecular Weight	369.464
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C1c3c(N=C(N)N1)c(c2nc(nc2c3)NC)CCNCC4CCCCC4
SMILES	CACTVS	3.341	CNc1[nH]c2cc3C(=O)NC(=Nc3c(CCNCC4CCCCC4)c2n1)N
SMILES	OpenEye OEToolkits	1.5.0	CNc1[nH]c2cc3c(c(c2n1)CCNCC4CCCCC4)N=C(NC3=O)N
Canonical SMILES	CACTVS	3.341	CNc1[nH]c2cc3C(=O)NC(=Nc3c(CCNCC4CCCCC4)c2n1)N
Canonical SMILES	OpenEye OEToolkits	1.5.0	CNc1[nH]c2cc3c(c(c2n1)CCNCC4CCCCC4)N=C(NC3=O)N
InChI	InChI	1.03	InChI=1S/C19H27N7O/c1-21-19-23-14-9-13-15(24-18(20)26-17(13)27)12(16(14)25-19)7-8-22-10-11-5-3-2-4-6-11/h9,11,22H,2-8,10H2,1H3,(H2,21,23,25)(H3,20,24,26,27)
InChIKey	InChI	1.03	ZKRVOXSNLYAMLM-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	44199329, 135566446

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