ethyl 6-(2,3-dimethoxyphenyl)-3-methyl-2-oxidanylidene-4-[(4-thiophen-2-ylcarbonylpiperazin-1-yl)methyl]-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 6-(2,3-dimethoxyphenyl)-3-methyl-2-oxidanylidene-4-[(4-thiophen-2-ylcarbonylpiperazin-1-yl)methyl]-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-(2,3-dimethoxyphenyl)-3-methyl-2-oxo-4-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(2,3-dimethoxyphenyl)-3-methyl-2-oxo-4-[[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]methyl]-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(2,3-dimethoxyphenyl)-3-methyl-2-oxo-4-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(2,3-dimethoxyphenyl)-2-keto-3-methyl-4-[[4-(2-thenoyl)piperazino]methyl]-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C26H32N4O6S MolecularWeight: 528.62048

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=C(C(=CC=C2)OC)OC)C)CN3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=C(C(=CC=C2)OC)OC)C)CN3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C26H32N4O6S/c1-5-36-25(32)21-18(16-29-11-13-30(14-12-29)24(31)20-10-7-15-37-20)28(2)26(33)27-22(21)17-8-6-9-19(34-3)23(17)35-4/h6-10,15,22H,5,11-14,16H2,1-4H3,(H,27,33)