ethyl (4S,5S)-2-(4-ethylpiperazin-1-yl)-6-oxidanylidene-4-thiophen-2-yl-4,5-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S,5S)-2-(4-ethylpiperazin-1-yl)-6-oxidanylidene-4-thiophen-2-yl-4,5-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S,5S)-2-(4-ethylpiperazin-1-yl)-6-oxo-4-(2-thienyl)-4,5-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S,5S)-2-(4-ethyl-1-piperazinyl)-6-oxo-4-thiophen-2-yl-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S,5S)-2-(4-ethylpiperazin-1-yl)-6-oxo-4-thiophen-2-yl-4,5-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S,5S)-2-(4-ethylpiperazino)-6-keto-4-(2-thienyl)-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C17H24N4O3S MolecularWeight: 364.46246

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(C(C(=O)N2)C(=O)OCC)C3=CC=CS3

Isomeric SMILES

CCN1CCN(CC1)C2=N[C@@H]([C@@H](C(=O)N2)C(=O)OCC)C3=CC=CS3

InChI

InChI=1S/C17H24N4O3S/c1-3-20-7-9-21(10-8-20)17-18-14(12-6-5-11-25-12)13(15(22)19-17)16(23)24-4-2/h5-6,11,13-14H,3-4,7-10H2,1-2H3,(H,18,19,22)/t13-,14+/m0/s1