2MQ

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

Created:	2009-03-02
Last modified:	2011-06-04

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1 entries where 2MQ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	35
Chiral Atom Count	0
Bond Count	37
Aromatic Bond Count	10

2D diagram of 2MQ

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Chemical Component Summary
Name	6-amino-4-(2-aminoethyl)-2-(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
Systematic Name (OpenEye OEToolkits)	6-amino-4-(2-aminoethyl)-2-methylamino-3,7-dihydropyrimido[5,6-f]benzimidazol-8-one
Formula	C₁₂ H₁₅ N₇ O
Molecular Weight	273.294
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C3NC(=Nc2c(c1nc(nc1cc23)NC)CCN)N
SMILES	CACTVS	3.341	CNc1[nH]c2c(CCN)c3N=C(N)NC(=O)c3cc2n1
SMILES	OpenEye OEToolkits	1.5.0	CNc1[nH]c2c(n1)cc3c(c2CCN)N=C(NC3=O)N
Canonical SMILES	CACTVS	3.341	CNc1[nH]c2c(CCN)c3N=C(N)NC(=O)c3cc2n1
Canonical SMILES	OpenEye OEToolkits	1.5.0	CNc1[nH]c2c(n1)cc3c(c2CCN)N=C(NC3=O)N
InChI	InChI	1.03	InChI=1S/C12H15N7O/c1-15-12-16-7-4-6-8(17-11(14)19-10(6)20)5(2-3-13)9(7)18-12/h4H,2-3,13H2,1H3,(H2,15,16,18)(H3,14,17,19,20)
InChIKey	InChI	1.03	GERXMHCMTFTAGY-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	44483203, 135566460

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