6-(1H-benzimidazol-2-ylsulfanylmethyl)-2-[(4,7-dimethylquinazolin-2-yl)amino]-1H-pyrimidin-4-one

Systemtic Name: 6-(1H-benzimidazol-2-ylsulfanylmethyl)-2-[(4,7-dimethylquinazolin-2-yl)amino]-1H-pyrimidin-4-one Openeye Name: 6-(1H-benzimidazol-2-ylsulfanylmethyl)-2-[(4,7-dimethylquinazolin-2-yl)amino]-1H-pyrimidin-4-one CAS Name: 6-[(1H-benzimidazol-2-ylthio)methyl]-2-[(4,7-dimethyl-2-quinazolinyl)amino]-1H-pyrimidin-4-one IUPAC Name: 6-(1H-benzimidazol-2-ylsulfanylmethyl)-2-[(4,7-dimethylquinazolin-2-yl)amino]-1H-pyrimidin-4-one Traditional Name: 6-[(1H-benzimidazol-2-ylthio)methyl]-2-[(4,7-dimethylquinazolin-2-yl)amino]-1H-pyrimidin-4-one Formula: C22H19N7OS MolecularWeight: 429.49756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=NC(=N2)NC3=NC(=O)C=C(N3)CSC4=NC5=CC=CC=C5N4)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=NC(=N2)NC3=NC(=O)C=C(N3)CSC4=NC5=CC=CC=C5N4)C

InChI

InChI=1S/C22H19N7OS/c1-12-7-8-15-13(2)23-20(25-18(15)9-12)29-21-24-14(10-19(30)28-21)11-31-22-26-16-5-3-4-6-17(16)27-22/h3-10H,11H2,1-2H3,(H,26,27)(H2,23,24,25,28,29,30)