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

Systemtic Name: N4-[[4-(aminomethyl)cyclohexyl]methyl]-5-nitro-N2-(phenylmethyl)pyrimidine-2,4-diamine Openeye Name: N4-[[4-(aminomethyl)cyclohexyl]methyl]-N2-benzyl-5-nitro-pyrimidine-2,4-diamine CAS Name: N4-[[4-(aminomethyl)cyclohexyl]methyl]-5-nitro-N2-(phenylmethyl)pyrimidine-2,4-diamine IUPAC Name: 4-N-[[4-(aminomethyl)cyclohexyl]methyl]-2-N-benzyl-5-nitropyrimidine-2,4-diamine Traditional Name: [4-(aminomethyl)cyclohexyl]methyl-[2-(benzylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C19H26N6O2 MolecularWeight: 370.44874

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN)CNC2=NC(=NC=C2[N+](=O)[O-])NCC3=CC=CC=C3

Isomeric SMILES

C1CC(CCC1CN)CNC2=NC(=NC=C2[N+](=O)[O-])NCC3=CC=CC=C3

InChI

InChI=1S/C19H26N6O2/c20-10-14-6-8-16(9-7-14)11-21-18-17(25(26)27)13-23-19(24-18)22-12-15-4-2-1-3-5-15/h1-5,13-14,16H,6-12,20H2,(H2,21,22,23,24)