N6-[(2-chlorophenyl)methyl]-N4-cycloheptyl-5-nitro-pyrimidine-4,6-diamine

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC2=C(C(=NC=N2)NCC3=CC=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCCC(CC1)NC2=C(C(=NC=N2)NCC3=CC=CC=C3Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H22ClN5O2/c19-15-10-6-5-7-13(15)11-20-17-16(24(25)26)18(22-12-21-17)23-14-8-3-1-2-4-9-14/h5-7,10,12,14H,1-4,8-9,11H2,(H2,20,21,22,23)