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

Systemtic Name: N4-[[4-(aminomethyl)cyclohexyl]methyl]-N2-[(2,5-dimethylphenyl)methyl]-5-nitro-pyrimidine-2,4-diamine Openeye Name: N4-[[4-(aminomethyl)cyclohexyl]methyl]-N2-[(2,5-dimethylphenyl)methyl]-5-nitro-pyrimidine-2,4-diamine CAS Name: N4-[[4-(aminomethyl)cyclohexyl]methyl]-N2-[(2,5-dimethylphenyl)methyl]-5-nitropyrimidine-2,4-diamine IUPAC Name: 4-N-[[4-(aminomethyl)cyclohexyl]methyl]-2-N-[(2,5-dimethylphenyl)methyl]-5-nitropyrimidine-2,4-diamine Traditional Name: [4-(aminomethyl)cyclohexyl]methyl-[2-[(2,5-dimethylbenzyl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C21H30N6O2 MolecularWeight: 398.5019

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CNC2=NC=C(C(=N2)NCC3CCC(CC3)CN)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)CNC2=NC=C(C(=N2)NCC3CCC(CC3)CN)[N+](=O)[O-]

InChI

InChI=1S/C21H30N6O2/c1-14-3-4-15(2)18(9-14)12-24-21-25-13-19(27(28)29)20(26-21)23-11-17-7-5-16(10-22)6-8-17/h3-4,9,13,16-17H,5-8,10-12,22H2,1-2H3,(H2,23,24,25,26)