1-[(6-chloranylpyridin-3-yl)methyl]-3-ethyl-6-methylsulfanyl-5-nitro-2,4-dihydropyrimidine

Systemtic Name: 1-[(6-chloranylpyridin-3-yl)methyl]-3-ethyl-6-methylsulfanyl-5-nitro-2,4-dihydropyrimidine Openeye Name: 1-[(6-chloro-3-pyridyl)methyl]-3-ethyl-6-methylsulfanyl-5-nitro-2,4-dihydropyrimidine CAS Name: 1-[(6-chloro-3-pyridinyl)methyl]-3-ethyl-6-(methylthio)-5-nitro-2,4-dihydropyrimidine IUPAC Name: 1-[(6-chloropyridin-3-yl)methyl]-3-ethyl-6-methylsulfanyl-5-nitro-2,4-dihydropyrimidine Traditional Name: 1-[(6-chloro-3-pyridyl)methyl]-3-ethyl-6-(methylthio)-5-nitro-2,4-dihydropyrimidine Formula: C13H17ClN4O2S MolecularWeight: 328.81768

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC(=C(N(C1)CC2=CN=C(C=C2)Cl)SC)[N+](=O)[O-]

Isomeric SMILES

CCN1CC(=C(N(C1)CC2=CN=C(C=C2)Cl)SC)[N+](=O)[O-]

InChI

InChI=1S/C13H17ClN4O2S/c1-3-16-8-11(18(19)20)13(21-2)17(9-16)7-10-4-5-12(14)15-6-10/h4-6H,3,7-9H2,1-2H3