6-[(4-chlorophenyl)sulfanylmethyl]-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-4-one

Systemtic Name: 6-[(4-chlorophenyl)sulfanylmethyl]-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-4-one Openeye Name: 6-[(4-chlorophenyl)sulfanylmethyl]-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-4-one CAS Name: 6-[[(4-chlorophenyl)thio]methyl]-2-[(4,6,8-trimethyl-2-quinazolinyl)amino]-1H-pyrimidin-4-one IUPAC Name: 6-[(4-chlorophenyl)sulfanylmethyl]-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-4-one Traditional Name: 6-[[(4-chlorophenyl)thio]methyl]-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-4-one Formula: C22H20ClN5OS MolecularWeight: 437.9451

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=NC(=N2)NC3=NC(=O)C=C(N3)CSC4=CC=C(C=C4)Cl)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=NC(=N2)NC3=NC(=O)C=C(N3)CSC4=CC=C(C=C4)Cl)C)C

InChI

InChI=1S/C22H20ClN5OS/c1-12-8-13(2)20-18(9-12)14(3)24-21(27-20)28-22-25-16(10-19(29)26-22)11-30-17-6-4-15(23)5-7-17/h4-10H,11H2,1-3H3,(H2,24,25,26,27,28,29)