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

Systemtic Name: ethyl 4-[(3-methylpiperazin-1-yl)methyl]-2-oxidanylidene-3-prop-2-enyl-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-allyl-4-[(3-methylpiperazin-1-yl)methyl]-2-oxo-6-(3-thienyl)-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[(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-[(3-methylpiperazin-1-yl)methyl]-2-oxo-3-prop-2-enyl-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-allyl-2-keto-4-[(3-methylpiperazino)methyl]-6-(3-thienyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C20H28N4O3S MolecularWeight: 404.52632

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CSC=C2)CC=C)CN3CCNC(C3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CSC=C2)CC=C)CN3CCNC(C3)C

InChI

InChI=1S/C20H28N4O3S/c1-4-8-24-16(12-23-9-7-21-14(3)11-23)17(19(25)27-5-2)18(22-20(24)26)15-6-10-28-13-15/h4,6,10,13-14,18,21H,1,5,7-9,11-12H2,2-3H3,(H,22,26)