3-(4-chlorophenyl)-4-oxidanylidene-7-(phenylmethylsulfanyl)pyrimido[4,5-d]pyrimidin-2-olate

Systemtic Name: 3-(4-chlorophenyl)-4-oxidanylidene-7-(phenylmethylsulfanyl)pyrimido[4,5-d]pyrimidin-2-olate Openeye Name: 7-benzylsulfanyl-3-(4-chlorophenyl)-4-oxo-pyrimido[4,5-d]pyrimidin-2-olate CAS Name: 3-(4-chlorophenyl)-4-oxo-7-(phenylmethylthio)-2-pyrimido[4,5-d]pyrimidinolate IUPAC Name: 7-benzylsulfanyl-3-(4-chlorophenyl)-4-oxopyrimido[4,5-d]pyrimidin-2-olate Traditional Name: 7-(benzylthio)-3-(4-chlorophenyl)-4-keto-pyrimido[4,5-d]pyrimidin-2-olate Formula: C19H12ClN4O2S- MolecularWeight: 395.84218

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC=C3C(=N2)N=C(N(C3=O)C4=CC=C(C=C4)Cl)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC=C3C(=N2)N=C(N(C3=O)C4=CC=C(C=C4)Cl)[O-]

InChI

InChI=1S/C19H13ClN4O2S/c20-13-6-8-14(9-7-13)24-17(25)15-10-21-18(22-16(15)23-19(24)26)27-11-12-4-2-1-3-5-12/h1-10H,11H2,(H,21,22,23,26)/p-1