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

Systemtic Name: ethyl 3-ethyl-4-[(3-methylpiperazin-1-yl)methyl]-2-oxidanylidene-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-ethyl-4-[(3-methylpiperazin-1-yl)methyl]-2-oxo-6-(3-thienyl)-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-ethyl-4-[(3-methyl-1-piperazinyl)methyl]-2-oxo-6-(3-thiophenyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-ethyl-4-[(3-methylpiperazin-1-yl)methyl]-2-oxo-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-ethyl-2-keto-4-[(3-methylpiperazino)methyl]-6-(3-thienyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C19H28N4O3S MolecularWeight: 392.51562

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=O)C2=CSC=C2)C(=O)OCC)CN3CCNC(C3)C

Isomeric SMILES

CCN1C(=C(C(NC1=O)C2=CSC=C2)C(=O)OCC)CN3CCNC(C3)C

InChI

InChI=1S/C19H28N4O3S/c1-4-23-15(11-22-8-7-20-13(3)10-22)16(18(24)26-5-2)17(21-19(23)25)14-6-9-27-12-14/h6,9,12-13,17,20H,4-5,7-8,10-11H2,1-3H3,(H,21,25)