ethyl 6-[[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[[4-[(5-chloro-2-thienyl)methyl]piperazin-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazinyl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[4-[(5-chloro-2-thienyl)methyl]piperazino]methyl]-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C17H23ClN4O3S MolecularWeight: 398.90752

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1)CN2CCN(CC2)CC3=CC=C(S3)Cl

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1)CN2CCN(CC2)CC3=CC=C(S3)Cl

InChI

InChI=1S/C17H23ClN4O3S/c1-2-25-16(23)13-9-19-17(24)20-14(13)11-22-7-5-21(6-8-22)10-12-3-4-15(18)26-12/h3-4H,2,5-11H2,1H3,(H2,19,20,24)