1,3-dimethyl-7-phenyl-5-(phenylmethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione

Systemtic Name: 1,3-dimethyl-7-phenyl-5-(phenylmethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 5-benzylsulfanyl-1,3-dimethyl-7-phenyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 1,3-dimethyl-7-phenyl-5-(phenylmethylthio)pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 5-benzylsulfanyl-1,3-dimethyl-7-phenylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 5-(benzylthio)-1,3-dimethyl-7-phenyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C3=CC=CC=C3)SCC4=CC=CC=C4)C(=O)N(C1=O)C

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C3=CC=CC=C3)SCC4=CC=CC=C4)C(=O)N(C1=O)C

InChI

InChI=1S/C21H18N4O2S/c1-24-18-16(20(26)25(2)21(24)27)19(28-13-14-9-5-3-6-10-14)23-17(22-18)15-11-7-4-8-12-15/h3-12H,13H2,1-2H3