N4-cycloheptyl-N6-(2-methylphenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-cycloheptyl-N6-(2-methylphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-cycloheptyl-5-nitro-N6-(o-tolyl)pyrimidine-4,6-diamine CAS Name: N4-cycloheptyl-N6-(2-methylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-cycloheptyl-6-N-(2-methylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: cycloheptyl-[5-nitro-6-(o-toluidino)pyrimidin-4-yl]amine Formula: C18H23N5O2 MolecularWeight: 341.40752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=C(C(=NC=N2)NC3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1NC2=C(C(=NC=N2)NC3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H23N5O2/c1-13-8-6-7-11-15(13)22-18-16(23(24)25)17(19-12-20-18)21-14-9-4-2-3-5-10-14/h6-8,11-12,14H,2-5,9-10H2,1H3,(H2,19,20,21,22)