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

Systemtic Name: 7-cyclopentyl-1,3-dimethyl-5-(1-phenylethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 7-cyclopentyl-1,3-dimethyl-5-(1-phenylethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 7-cyclopentyl-1,3-dimethyl-5-(1-phenylethylthio)pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 7-cyclopentyl-1,3-dimethyl-5-(1-phenylethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 7-cyclopentyl-1,3-dimethyl-5-(1-phenylethylthio)pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)SC2=NC(=NC3=C2C(=O)N(C(=O)N3C)C)C4CCCC4

Isomeric SMILES

CC(C1=CC=CC=C1)SC2=NC(=NC3=C2C(=O)N(C(=O)N3C)C)C4CCCC4

InChI

InChI=1S/C21H24N4O2S/c1-13(14-9-5-4-6-10-14)28-19-16-18(24(2)21(27)25(3)20(16)26)22-17(23-19)15-11-7-8-12-15/h4-6,9-10,13,15H,7-8,11-12H2,1-3H3