ethyl 4-azanyl-2-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[3-[3-(3-pyridyl)-1,2,4-oxadiazol-5-yl]propylsulfanyl]pyrimidine-5-carboxylate CAS Name: 4-amino-2-[3-[3-(3-pyridinyl)-1,2,4-oxadiazol-5-yl]propylthio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]pyrimidine-5-carboxylate Traditional Name: 4-amino-2-[3-[3-(3-pyridyl)-1,2,4-oxadiazol-5-yl]propylthio]pyrimidine-5-carboxylic acid ethyl ester Formula: C17H18N6O3S MolecularWeight: 386.42822

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCCCC2=NC(=NO2)C3=CN=CC=C3

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCCCC2=NC(=NO2)C3=CN=CC=C3

InChI

InChI=1S/C17H18N6O3S/c1-2-25-16(24)12-10-20-17(22-14(12)18)27-8-4-6-13-21-15(23-26-13)11-5-3-7-19-9-11/h3,5,7,9-10H,2,4,6,8H2,1H3,(H2,18,20,22)