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

Systemtic Name: ethyl 4-[(4-ethylpiperazin-1-yl)methyl]-2-oxidanylidene-3-prop-2-enyl-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-allyl-4-[(4-ethylpiperazin-1-yl)methyl]-2-oxo-6-(3-thienyl)-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[(4-ethyl-1-piperazinyl)methyl]-2-oxo-3-prop-2-enyl-6-(3-thiophenyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-ethylpiperazin-1-yl)methyl]-2-oxo-3-prop-2-enyl-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-allyl-4-[(4-ethylpiperazino)methyl]-2-keto-6-(3-thienyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C21H30N4O3S MolecularWeight: 418.5529

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC2=C(C(NC(=O)N2CC=C)C3=CSC=C3)C(=O)OCC

Isomeric SMILES

CCN1CCN(CC1)CC2=C(C(NC(=O)N2CC=C)C3=CSC=C3)C(=O)OCC

InChI

InChI=1S/C21H30N4O3S/c1-4-8-25-17(14-24-11-9-23(5-2)10-12-24)18(20(26)28-6-3)19(22-21(25)27)16-7-13-29-15-16/h4,7,13,15,19H,1,5-6,8-12,14H2,2-3H3,(H,22,27)