ethyl 6-[(5-chloranyl-1-propyl-benzimidazol-2-yl)sulfanylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[(5-chloranyl-1-propyl-benzimidazol-2-yl)sulfanylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[(5-chloro-1-propyl-benzimidazol-2-yl)sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[(5-chloro-1-propyl-2-benzimidazolyl)thio]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[(5-chloro-1-propylbenzimidazol-2-yl)sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[(5-chloro-1-propyl-benzimidazol-2-yl)thio]methyl]-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H21ClN4O3S MolecularWeight: 408.90234

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)Cl)N=C1SCC3=C(CNC(=O)N3)C(=O)OCC

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)Cl)N=C1SCC3=C(CNC(=O)N3)C(=O)OCC

InChI

InChI=1S/C18H21ClN4O3S/c1-3-7-23-15-6-5-11(19)8-13(15)22-18(23)27-10-14-12(16(24)26-4-2)9-20-17(25)21-14/h5-6,8H,3-4,7,9-10H2,1-2H3,(H2,20,21,25)