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

Systemtic Name: ethyl 4-[[4-(ethylcarbamoyl)-3-methyl-piperazin-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-(ethylcarbamoyl)-3-methyl-piperazin-1-yl]methyl]-2-oxo-6-(3-thienyl)-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[[4-(ethylcarbamoyl)-3-methyl-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-(ethylcarbamoyl)-3-methylpiperazin-1-yl]methyl]-2-oxo-3-prop-2-enyl-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-allyl-4-[[4-(ethylcarbamoyl)-3-methyl-piperazino]methyl]-2-keto-6-(3-thienyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C23H33N5O4S MolecularWeight: 475.60422

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N1CCN(CC1C)CC2=C(C(NC(=O)N2CC=C)C3=CSC=C3)C(=O)OCC

Isomeric SMILES

CCNC(=O)N1CCN(CC1C)CC2=C(C(NC(=O)N2CC=C)C3=CSC=C3)C(=O)OCC

InChI

InChI=1S/C23H33N5O4S/c1-5-9-28-18(14-26-10-11-27(16(4)13-26)22(30)24-6-2)19(21(29)32-7-3)20(25-23(28)31)17-8-12-33-15-17/h5,8,12,15-16,20H,1,6-7,9-11,13-14H2,2-4H3,(H,24,30)(H,25,31)