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

Systemtic Name: 2-[(4,7-dimethylquinazolin-2-yl)amino]-6-(pyridin-2-ylsulfanylmethyl)-1H-pyrimidin-4-one Openeye Name: 2-[(4,7-dimethylquinazolin-2-yl)amino]-6-(2-pyridylsulfanylmethyl)-1H-pyrimidin-4-one CAS Name: 2-[(4,7-dimethyl-2-quinazolinyl)amino]-6-[(2-pyridinylthio)methyl]-1H-pyrimidin-4-one IUPAC Name: 2-[(4,7-dimethylquinazolin-2-yl)amino]-6-(pyridin-2-ylsulfanylmethyl)-1H-pyrimidin-4-one Traditional Name: 2-[(4,7-dimethylquinazolin-2-yl)amino]-6-[(2-pyridylthio)methyl]-1H-pyrimidin-4-one Formula: C20H18N6OS MolecularWeight: 390.46152

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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=CC=CC=N4)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=NC(=N2)NC3=NC(=O)C=C(N3)CSC4=CC=CC=N4)C

InChI

InChI=1S/C20H18N6OS/c1-12-6-7-15-13(2)22-19(24-16(15)9-12)26-20-23-14(10-17(27)25-20)11-28-18-5-3-4-8-21-18/h3-10H,11H2,1-2H3,(H2,22,23,24,25,26,27)