3-[(5-chloranyl-2-nitro-phenyl)methyl]-6-methyl-2-methylsulfanyl-pyrimidin-4-one

Systemtic Name: 3-[(5-chloranyl-2-nitro-phenyl)methyl]-6-methyl-2-methylsulfanyl-pyrimidin-4-one Openeye Name: 3-[(5-chloro-2-nitro-phenyl)methyl]-6-methyl-2-methylsulfanyl-pyrimidin-4-one CAS Name: 3-[(5-chloro-2-nitrophenyl)methyl]-6-methyl-2-(methylthio)-4-pyrimidinone IUPAC Name: 3-[(5-chloro-2-nitrophenyl)methyl]-6-methyl-2-methylsulfanylpyrimidin-4-one Traditional Name: 3-(5-chloro-2-nitro-benzyl)-6-methyl-2-(methylthio)pyrimidin-4-one Formula: C13H12ClN3O3S MolecularWeight: 325.77068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=N1)SC)CC2=C(C=CC(=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=O)N(C(=N1)SC)CC2=C(C=CC(=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H12ClN3O3S/c1-8-5-12(18)16(13(15-8)21-2)7-9-6-10(14)3-4-11(9)17(19)20/h3-6H,7H2,1-2H3