ethyl 5-methyl-4-oxidanylidene-2-[2-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)ethenyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-methyl-4-oxidanylidene-2-[2-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)ethenyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-4-oxo-2-[2-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]vinyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-2-[2-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)ethenyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-oxo-2-[2-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)ethenyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-2-[2-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]vinyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C25H20N4O3S2 MolecularWeight: 488.5813

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)C=CC3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)C=CC3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5)C

InChI

InChI=1S/C25H20N4O3S2/c1-3-32-25(31)22-15(2)20-23(30)26-19(27-24(20)34-22)12-11-16-14-29(17-8-5-4-6-9-17)28-21(16)18-10-7-13-33-18/h4-14H,3H2,1-2H3,(H,26,27,30)