6-chloranyl-2-methylsulfanyl-5-nitro-N-(phenylmethyl)pyrimidin-4-amine

Systemtic Name: 6-chloranyl-2-methylsulfanyl-5-nitro-N-(phenylmethyl)pyrimidin-4-amine Openeye Name: N-benzyl-6-chloro-2-methylsulfanyl-5-nitro-pyrimidin-4-amine CAS Name: 6-chloro-2-(methylthio)-5-nitro-N-(phenylmethyl)-4-pyrimidinamine IUPAC Name: N-benzyl-6-chloro-2-methylsulfanyl-5-nitropyrimidin-4-amine Traditional Name: benzyl-[6-chloro-2-(methylthio)-5-nitro-pyrimidin-4-yl]amine Formula: C12H11ClN4O2S MolecularWeight: 310.75934

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C(C(=N1)Cl)[N+](=O)[O-])NCC2=CC=CC=C2

Isomeric SMILES

CSC1=NC(=C(C(=N1)Cl)[N+](=O)[O-])NCC2=CC=CC=C2

InChI

InChI=1S/C12H11ClN4O2S/c1-20-12-15-10(13)9(17(18)19)11(16-12)14-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,14,15,16)