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

Systemtic Name: 7-cyclopentyl-1,3-dimethyl-5-phenacylsulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 7-cyclopentyl-1,3-dimethyl-5-phenacylsulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 7-cyclopentyl-1,3-dimethyl-5-(phenacylthio)pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 7-cyclopentyl-1,3-dimethyl-5-phenacylsulfanylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 7-cyclopentyl-1,3-dimethyl-5-(phenacylthio)pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O3S/c1-24-18-16(20(27)25(2)21(24)28)19(23-17(22-18)14-10-6-7-11-14)29-12-15(26)13-8-4-3-5-9-13/h3-5,8-9,14H,6-7,10-12H2,1-2H3