1-(4-methoxyphenyl)-6-phenethyl-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one

Systemtic Name: 1-(4-methoxyphenyl)-6-phenethyl-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one Openeye Name: 1-(4-methoxyphenyl)-6-phenethyl-2-thioxo-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one CAS Name: 1-(4-methoxyphenyl)-6-phenethyl-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one IUPAC Name: 1-(4-methoxyphenyl)-6-phenethyl-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one Traditional Name: 1-(4-methoxyphenyl)-6-phenethyl-2-thioxo-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C3=C(CN(CN3)CCC4=CC=CC=C4)C(=O)NC2=S

Isomeric SMILES

COC1=CC=C(C=C1)N2C3=C(CN(CN3)CCC4=CC=CC=C4)C(=O)NC2=S

InChI

InChI=1S/C21H22N4O2S/c1-27-17-9-7-16(8-10-17)25-19-18(20(26)23-21(25)28)13-24(14-22-19)12-11-15-5-3-2-4-6-15/h2-10,22H,11-14H2,1H3,(H,23,26,28)