4-methyl-5-nitro-6-(phenylmethylsulfanyl)pyrimidin-2-amine

Systemtic Name: 4-methyl-5-nitro-6-(phenylmethylsulfanyl)pyrimidin-2-amine Openeye Name: 4-benzylsulfanyl-6-methyl-5-nitro-pyrimidin-2-amine CAS Name: 4-methyl-5-nitro-6-(phenylmethylthio)-2-pyrimidinamine IUPAC Name: 4-benzylsulfanyl-6-methyl-5-nitropyrimidin-2-amine Traditional Name: [4-(benzylthio)-6-methyl-5-nitro-pyrimidin-2-yl]amine Formula: C12H12N4O2S MolecularWeight: 276.31428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)N)SCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)N)SCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H12N4O2S/c1-8-10(16(17)18)11(15-12(13)14-8)19-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H2,13,14,15)