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

Systemtic Name: 5-[(4-chlorophenyl)methylsulfanyl]-1,3-dimethyl-7-phenyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 5-[(4-chlorophenyl)methylsulfanyl]-1,3-dimethyl-7-phenyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 5-[(4-chlorophenyl)methylthio]-1,3-dimethyl-7-phenylpyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 5-[(4-chlorophenyl)methylsulfanyl]-1,3-dimethyl-7-phenylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 5-[(4-chlorobenzyl)thio]-1,3-dimethyl-7-phenyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C21H17ClN4O2S MolecularWeight: 424.90328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17ClN4O2S/c1-25-18-16(20(27)26(2)21(25)28)19(29-12-13-8-10-15(22)11-9-13)24-17(23-18)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3