2-[2-[3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]sulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one

Systemtic Name: 2-[2-[3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]sulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[2-[3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]sulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one CAS Name: 2-[[2-[3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]thio]-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one IUPAC Name: 2-[2-[3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[[2-[5-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-pyrazolin-1-yl]-2-keto-ethyl]thio]-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one Formula: C32H30N4O5S2 MolecularWeight: 614.7344

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC(=C(C=C3)OC)OC)C(=O)CSC4=NC5=C(C(=O)N4C6=CC=CC=C6)SCC5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC(=C(C=C3)OC)OC)C(=O)CSC4=NC5=C(C(=O)N4C6=CC=CC=C6)SCC5

InChI

InChI=1S/C32H30N4O5S2/c1-39-23-12-9-20(10-13-23)25-18-26(21-11-14-27(40-2)28(17-21)41-3)36(34-25)29(37)19-43-32-33-24-15-16-42-30(24)31(38)35(32)22-7-5-4-6-8-22/h4-14,17,26H,15-16,18-19H2,1-3H3