ethyl 3-ethyl-2-oxidanylidene-4-(piperazin-1-ylmethyl)-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 3-ethyl-2-oxidanylidene-4-(piperazin-1-ylmethyl)-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-ethyl-2-oxo-4-(piperazin-1-ylmethyl)-6-(3-thienyl)-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-ethyl-2-oxo-4-(1-piperazinylmethyl)-6-(3-thiophenyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-ethyl-2-oxo-4-(piperazin-1-ylmethyl)-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-ethyl-2-keto-4-(piperazinomethyl)-6-(3-thienyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C18H26N4O3S MolecularWeight: 378.48904

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=O)C2=CSC=C2)C(=O)OCC)CN3CCNCC3

Isomeric SMILES

CCN1C(=C(C(NC1=O)C2=CSC=C2)C(=O)OCC)CN3CCNCC3

InChI

InChI=1S/C18H26N4O3S/c1-3-22-14(11-21-8-6-19-7-9-21)15(17(23)25-4-2)16(20-18(22)24)13-5-10-26-12-13/h5,10,12,16,19H,3-4,6-9,11H2,1-2H3,(H,20,24)