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OQN

Summary
Name:6-amino-2-(methylamino)-4-phenethyl-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
Synonyms:6-azanyl-2-(methylamino)-4-(2-phenylethyl)-3,7-dihydroimidazo[4,5-g]quinazolin-8-one
Formula:C18 H18 N6 O
Formal charge:0
Formula weight:334.375 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.76-azanyl-2-(methylamino)-4-(2-phenylethyl)-3,7-dihydroimidazo[4,5-g]quinazolin-8-one

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C18H18N6O/c1-20-18-21-13-9-12-14(22-17(19)24-16(12)25)11(15(13)23-18)8-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H2,20,21,23)(H3,19,22,24,25)
InChIKeyInChI1.03WJCDAOMLVZDAIC-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CNc1[nH]c2c(CCc3ccccc3)c4N=C(N)NC(=O)c4cc2n1
SMILESCACTVS3.385CNc1[nH]c2c(CCc3ccccc3)c4N=C(N)NC(=O)c4cc2n1
SMILES_CANONICALOpenEye OEToolkits2.0.7CNc1[nH]c2c(n1)cc3c(c2CCc4ccccc4)N=C(NC3=O)N
SMILESOpenEye OEToolkits2.0.7CNc1[nH]c2c(n1)cc3c(c2CCc4ccccc4)N=C(NC3=O)N

223532

PDB entries from 2024-08-07

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