ethyl 4-azanyl-2-[3-(2-oxidanylidene-3H-benzimidazol-1-yl)propylsulfanyl]pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[3-(2-oxidanylidene-3H-benzimidazol-1-yl)propylsulfanyl]pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[3-(2-oxo-3H-benzimidazol-1-yl)propylsulfanyl]pyrimidine-5-carboxylate CAS Name: 4-amino-2-[3-(2-oxo-3H-benzimidazol-1-yl)propylthio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[3-(2-oxo-3H-benzimidazol-1-yl)propylsulfanyl]pyrimidine-5-carboxylate Traditional Name: 4-amino-2-[3-(2-keto-3H-benzimidazol-1-yl)propylthio]pyrimidine-5-carboxylic acid ethyl ester Formula: C17H19N5O3S MolecularWeight: 373.42946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCCCN2C3=CC=CC=C3NC2=O

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCCCN2C3=CC=CC=C3NC2=O

InChI

InChI=1S/C17H19N5O3S/c1-2-25-15(23)11-10-19-16(21-14(11)18)26-9-5-8-22-13-7-4-3-6-12(13)20-17(22)24/h3-4,6-7,10H,2,5,8-9H2,1H3,(H,20,24)(H2,18,19,21)