6-cyclopentyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one

Systemtic Name: 6-cyclopentyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one Openeye Name: 6-cyclopentyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-thioxo-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one CAS Name: 6-cyclopentyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one IUPAC Name: 6-cyclopentyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one Traditional Name: 6-cyclopentyl-1-homoveratryl-2-thioxo-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C3=C(CN(CN3)C4CCCC4)C(=O)NC2=S)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C3=C(CN(CN3)C4CCCC4)C(=O)NC2=S)OC

InChI

InChI=1S/C21H28N4O3S/c1-27-17-8-7-14(11-18(17)28-2)9-10-25-19-16(20(26)23-21(25)29)12-24(13-22-19)15-5-3-4-6-15/h7-8,11,15,22H,3-6,9-10,12-13H2,1-2H3,(H,23,26,29)