N4-[[4-(aminomethyl)cyclohexyl]methyl]-5-nitro-N2-[(2-phenylphenyl)methyl]pyrimidine-2,4-diamine

Systemtic Name: N4-[[4-(aminomethyl)cyclohexyl]methyl]-5-nitro-N2-[(2-phenylphenyl)methyl]pyrimidine-2,4-diamine Openeye Name: N4-[[4-(aminomethyl)cyclohexyl]methyl]-5-nitro-N2-[(2-phenylphenyl)methyl]pyrimidine-2,4-diamine CAS Name: N4-[[4-(aminomethyl)cyclohexyl]methyl]-5-nitro-N2-[(2-phenylphenyl)methyl]pyrimidine-2,4-diamine IUPAC Name: 4-N-[[4-(aminomethyl)cyclohexyl]methyl]-5-nitro-2-N-[(2-phenylphenyl)methyl]pyrimidine-2,4-diamine Traditional Name: [4-(aminomethyl)cyclohexyl]methyl-[5-nitro-2-[(2-phenylbenzyl)amino]pyrimidin-4-yl]amine Formula: C25H30N6O2 MolecularWeight: 446.5447

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN)CNC2=NC(=NC=C2[N+](=O)[O-])NCC3=CC=CC=C3C4=CC=CC=C4

Isomeric SMILES

C1CC(CCC1CN)CNC2=NC(=NC=C2[N+](=O)[O-])NCC3=CC=CC=C3C4=CC=CC=C4

InChI

InChI=1S/C25H30N6O2/c26-14-18-10-12-19(13-11-18)15-27-24-23(31(32)33)17-29-25(30-24)28-16-21-8-4-5-9-22(21)20-6-2-1-3-7-20/h1-9,17-19H,10-16,26H2,(H2,27,28,29,30)