6-chloranyl-N-[(4-methylphenyl)methyl]-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-chloranyl-N-[(4-methylphenyl)methyl]-5-nitro-pyrimidin-4-amine Openeye Name: 6-chloro-5-nitro-N-(p-tolylmethyl)pyrimidin-4-amine CAS Name: 6-chloro-N-[(4-methylphenyl)methyl]-5-nitro-4-pyrimidinamine IUPAC Name: 6-chloro-N-[(4-methylphenyl)methyl]-5-nitropyrimidin-4-amine Traditional Name: (6-chloro-5-nitro-pyrimidin-4-yl)-(4-methylbenzyl)amine Formula: C12H11ClN4O2 MolecularWeight: 278.69434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=C(C(=NC=N2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=C(C(=NC=N2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C12H11ClN4O2/c1-8-2-4-9(5-3-8)6-14-12-10(17(18)19)11(13)15-7-16-12/h2-5,7H,6H2,1H3,(H,14,15,16)