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

Systemtic Name: 1-[(6-chloranylpyridin-3-yl)methyl]-3-methyl-6-methylsulfanyl-5-nitro-2,4-dihydropyrimidine Openeye Name: 1-[(6-chloro-3-pyridyl)methyl]-3-methyl-6-methylsulfanyl-5-nitro-2,4-dihydropyrimidine CAS Name: 1-[(6-chloro-3-pyridinyl)methyl]-3-methyl-6-(methylthio)-5-nitro-2,4-dihydropyrimidine IUPAC Name: 1-[(6-chloropyridin-3-yl)methyl]-3-methyl-6-methylsulfanyl-5-nitro-2,4-dihydropyrimidine Traditional Name: 1-[(6-chloro-3-pyridyl)methyl]-3-methyl-6-(methylthio)-5-nitro-2,4-dihydropyrimidine Formula: C12H15ClN4O2S MolecularWeight: 314.7911

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(=C(N(C1)CC2=CN=C(C=C2)Cl)SC)[N+](=O)[O-]

Isomeric SMILES

CN1CC(=C(N(C1)CC2=CN=C(C=C2)Cl)SC)[N+](=O)[O-]

InChI

InChI=1S/C12H15ClN4O2S/c1-15-7-10(17(18)19)12(20-2)16(8-15)6-9-3-4-11(13)14-5-9/h3-5H,6-8H2,1-2H3