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

Systemtic Name: N6-cycloheptyl-N4-(diphenylmethyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-benzhydryl-N6-cycloheptyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-cycloheptyl-N4-(diphenylmethyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-benzhydryl-6-N-cycloheptyl-5-nitropyrimidine-4,6-diamine Traditional Name: benzhydryl-[6-(cycloheptylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C24H27N5O2 MolecularWeight: 417.50348

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC2=C(C(=NC=N2)NC(C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCCC(CC1)NC2=C(C(=NC=N2)NC(C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H27N5O2/c30-29(31)22-23(27-20-15-9-1-2-10-16-20)25-17-26-24(22)28-21(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-8,11-14,17,20-21H,1-2,9-10,15-16H2,(H2,25,26,27,28)