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

Systemtic Name: 6-[(4-chlorophenyl)sulfanylmethyl]-2-[(4-methylquinazolin-2-yl)amino]-1H-pyrimidin-4-one Openeye Name: 6-[(4-chlorophenyl)sulfanylmethyl]-2-[(4-methylquinazolin-2-yl)amino]-1H-pyrimidin-4-one CAS Name: 6-[[(4-chlorophenyl)thio]methyl]-2-[(4-methyl-2-quinazolinyl)amino]-1H-pyrimidin-4-one IUPAC Name: 6-[(4-chlorophenyl)sulfanylmethyl]-2-[(4-methylquinazolin-2-yl)amino]-1H-pyrimidin-4-one Traditional Name: 6-[[(4-chlorophenyl)thio]methyl]-2-[(4-methylquinazolin-2-yl)amino]-1H-pyrimidin-4-one Formula: C20H16ClN5OS MolecularWeight: 409.89194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=CC=CC=C12)NC3=NC(=O)C=C(N3)CSC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=NC(=NC2=CC=CC=C12)NC3=NC(=O)C=C(N3)CSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H16ClN5OS/c1-12-16-4-2-3-5-17(16)24-19(22-12)26-20-23-14(10-18(27)25-20)11-28-15-8-6-13(21)7-9-15/h2-10H,11H2,1H3,(H2,22,23,24,25,26,27)