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

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-6-phenyl-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-6-phenyl-2-thioxo-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-6-phenyl-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-6-phenyl-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one Traditional Name: 1-homoveratryl-6-phenyl-2-thioxo-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C3=C(CN(CN3)C4=CC=CC=C4)C(=O)NC2=S)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C3=C(CN(CN3)C4=CC=CC=C4)C(=O)NC2=S)OC

InChI

InChI=1S/C22H24N4O3S/c1-28-18-9-8-15(12-19(18)29-2)10-11-26-20-17(21(27)24-22(26)30)13-25(14-23-20)16-6-4-3-5-7-16/h3-9,12,23H,10-11,13-14H2,1-2H3,(H,24,27,30)