N6-(5-chloranyl-2-methyl-phenyl)-N4-cycloheptyl-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-(5-chloranyl-2-methyl-phenyl)-N4-cycloheptyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(5-chloro-2-methyl-phenyl)-N4-cycloheptyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(5-chloro-2-methylphenyl)-N4-cycloheptyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(5-chloro-2-methylphenyl)-4-N-cycloheptyl-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(5-chloro-2-methyl-anilino)-5-nitro-pyrimidin-4-yl]-cycloheptyl-amine Formula: C18H22ClN5O2 MolecularWeight: 375.85258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC2=C(C(=NC=N2)NC3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC2=C(C(=NC=N2)NC3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H22ClN5O2/c1-12-8-9-13(19)10-15(12)23-18-16(24(25)26)17(20-11-21-18)22-14-6-4-2-3-5-7-14/h8-11,14H,2-7H2,1H3,(H2,20,21,22,23)