ethyl 4-[[4-(tert-butylcarbamoyl)-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-(tert-butylcarbamoyl)-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-(tert-butylcarbamoyl)-3-methyl-piperazin-1-yl]methyl]-2-oxo-6-(3-thienyl)-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[[4-[(tert-butylamino)-oxomethyl]-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-(tert-butylcarbamoyl)-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-(tert-butylcarbamoyl)-3-methyl-piperazino]methyl]-2-keto-6-(3-thienyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C25H37N5O4S MolecularWeight: 503.65738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CSC=C2)CC=C)CN3CCN(C(C3)C)C(=O)NC(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CSC=C2)CC=C)CN3CCN(C(C3)C)C(=O)NC(C)(C)C

InChI

InChI=1S/C25H37N5O4S/c1-7-10-30-19(15-28-11-12-29(17(3)14-28)24(33)27-25(4,5)6)20(22(31)34-8-2)21(26-23(30)32)18-9-13-35-16-18/h7,9,13,16-17,21H,1,8,10-12,14-15H2,2-6H3,(H,26,32)(H,27,33)