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

Systemtic Name: ethyl 3-methyl-4-[[4-(3-methylbutanoyl)piperazin-1-yl]methyl]-2-oxidanylidene-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-methyl-4-[[4-(3-methylbutanoyl)piperazin-1-yl]methyl]-2-oxo-6-(3-thienyl)-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-methyl-4-[[4-(3-methyl-1-oxobutyl)-1-piperazinyl]methyl]-2-oxo-6-(3-thiophenyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-4-[[4-(3-methylbutanoyl)piperazin-1-yl]methyl]-2-oxo-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-[(4-isovalerylpiperazino)methyl]-2-keto-3-methyl-6-(3-thienyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C22H32N4O4S MolecularWeight: 448.57888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CSC=C2)C)CN3CCN(CC3)C(=O)CC(C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CSC=C2)C)CN3CCN(CC3)C(=O)CC(C)C

InChI

InChI=1S/C22H32N4O4S/c1-5-30-21(28)19-17(24(4)22(29)23-20(19)16-6-11-31-14-16)13-25-7-9-26(10-8-25)18(27)12-15(2)3/h6,11,14-15,20H,5,7-10,12-13H2,1-4H3,(H,23,29)