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

Systemtic Name: 6-[(4-chlorophenyl)sulfanylmethyl]-2-[(4,6-dimethylquinazolin-2-yl)amino]-1H-pyrimidin-4-one Openeye Name: 6-[(4-chlorophenyl)sulfanylmethyl]-2-[(4,6-dimethylquinazolin-2-yl)amino]-1H-pyrimidin-4-one CAS Name: 6-[[(4-chlorophenyl)thio]methyl]-2-[(4,6-dimethyl-2-quinazolinyl)amino]-1H-pyrimidin-4-one IUPAC Name: 6-[(4-chlorophenyl)sulfanylmethyl]-2-[(4,6-dimethylquinazolin-2-yl)amino]-1H-pyrimidin-4-one Traditional Name: 6-[[(4-chlorophenyl)thio]methyl]-2-[(4,6-dimethylquinazolin-2-yl)amino]-1H-pyrimidin-4-one Formula: C21H18ClN5OS MolecularWeight: 423.91852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N=C2C)NC3=NC(=O)C=C(N3)CSC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N=C2C)NC3=NC(=O)C=C(N3)CSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H18ClN5OS/c1-12-3-8-18-17(9-12)13(2)23-20(25-18)27-21-24-15(10-19(28)26-21)11-29-16-6-4-14(22)5-7-16/h3-10H,11H2,1-2H3,(H2,23,24,25,26,27,28)