6-azanyl-2-[2-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]sulfanyl-1H-pyrimidin-4-one

Systemtic Name: 6-azanyl-2-[2-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]sulfanyl-1H-pyrimidin-4-one Openeye Name: 6-amino-2-[2-[3-(3,4-dimethoxyphenyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]sulfanyl-1H-pyrimidin-4-one CAS Name: 6-amino-2-[[2-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]thio]-1H-pyrimidin-4-one IUPAC Name: 6-amino-2-[2-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-1H-pyrimidin-4-one Traditional Name: 6-amino-2-[[2-[5-(3,4-dimethoxyphenyl)-3-(2-thienyl)-2-pyrazolin-1-yl]-2-keto-ethyl]thio]-1H-pyrimidin-4-one Formula: C21H21N5O4S2 MolecularWeight: 471.55254

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CC(=NN2C(=O)CSC3=NC(=O)C=C(N3)N)C4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2CC(=NN2C(=O)CSC3=NC(=O)C=C(N3)N)C4=CC=CS4)OC

InChI

InChI=1S/C21H21N5O4S2/c1-29-15-6-5-12(8-16(15)30-2)14-9-13(17-4-3-7-31-17)25-26(14)20(28)11-32-21-23-18(22)10-19(27)24-21/h3-8,10,14H,9,11H2,1-2H3,(H3,22,23,24,27)