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

Systemtic Name: 7-cyclopentyl-1,3-dimethyl-5-(phenylmethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 5-benzylsulfanyl-7-cyclopentyl-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 7-cyclopentyl-1,3-dimethyl-5-(phenylmethylthio)pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 5-benzylsulfanyl-7-cyclopentyl-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 5-(benzylthio)-7-cyclopentyl-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C3CCCC3)SCC4=CC=CC=C4)C(=O)N(C1=O)C

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C3CCCC3)SCC4=CC=CC=C4)C(=O)N(C1=O)C

InChI

InChI=1S/C20H22N4O2S/c1-23-17-15(19(25)24(2)20(23)26)18(27-12-13-8-4-3-5-9-13)22-16(21-17)14-10-6-7-11-14/h3-5,8-9,14H,6-7,10-12H2,1-2H3