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

Systemtic Name: 6-[(4-chlorophenyl)sulfanylmethyl]-2-[(6-methoxy-4-methyl-quinazolin-2-yl)amino]-1H-pyrimidin-4-one Openeye Name: 6-[(4-chlorophenyl)sulfanylmethyl]-2-[(6-methoxy-4-methyl-quinazolin-2-yl)amino]-1H-pyrimidin-4-one CAS Name: 6-[[(4-chlorophenyl)thio]methyl]-2-[(6-methoxy-4-methyl-2-quinazolinyl)amino]-1H-pyrimidin-4-one IUPAC Name: 6-[(4-chlorophenyl)sulfanylmethyl]-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-1H-pyrimidin-4-one Traditional Name: 6-[[(4-chlorophenyl)thio]methyl]-2-[(6-methoxy-4-methyl-quinazolin-2-yl)amino]-1H-pyrimidin-4-one Formula: C21H18ClN5O2S MolecularWeight: 439.91792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1C=C(C=C2)OC)NC3=NC(=O)C=C(N3)CSC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=NC(=NC2=C1C=C(C=C2)OC)NC3=NC(=O)C=C(N3)CSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H18ClN5O2S/c1-12-17-10-15(29-2)5-8-18(17)25-20(23-12)27-21-24-14(9-19(28)26-21)11-30-16-6-3-13(22)4-7-16/h3-10H,11H2,1-2H3,(H2,23,24,25,26,27,28)