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

Systemtic Name: 6-(pyridin-2-ylsulfanylmethyl)-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-4-one Openeye Name: 6-(2-pyridylsulfanylmethyl)-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-4-one CAS Name: 6-[(2-pyridinylthio)methyl]-2-[(4,6,7-trimethyl-2-quinazolinyl)amino]-1H-pyrimidin-4-one IUPAC Name: 6-(pyridin-2-ylsulfanylmethyl)-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-4-one Traditional Name: 6-[(2-pyridylthio)methyl]-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-4-one Formula: C21H20N6OS MolecularWeight: 404.4881

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=NC(=N2)NC3=NC(=O)C=C(N3)CSC4=CC=CC=N4)C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=NC(=N2)NC3=NC(=O)C=C(N3)CSC4=CC=CC=N4)C)C

InChI

InChI=1S/C21H20N6OS/c1-12-8-16-14(3)23-20(25-17(16)9-13(12)2)27-21-24-15(10-18(28)26-21)11-29-19-6-4-5-7-22-19/h4-10H,11H2,1-3H3,(H2,23,24,25,26,27,28)