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

Systemtic Name: N4-[[4-(aminomethyl)cyclohexyl]methyl]-5-nitro-N2-(2-phenylpropan-2-yl)pyrimidine-2,4-diamine Openeye Name: N4-[[4-(aminomethyl)cyclohexyl]methyl]-N2-(1-methyl-1-phenyl-ethyl)-5-nitro-pyrimidine-2,4-diamine CAS Name: N4-[[4-(aminomethyl)cyclohexyl]methyl]-5-nitro-N2-(2-phenylpropan-2-yl)pyrimidine-2,4-diamine IUPAC Name: 4-N-[[4-(aminomethyl)cyclohexyl]methyl]-5-nitro-2-N-(2-phenylpropan-2-yl)pyrimidine-2,4-diamine Traditional Name: [4-(aminomethyl)cyclohexyl]methyl-[2-(cumylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C21H30N6O2 MolecularWeight: 398.5019

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)NC2=NC=C(C(=N2)NCC3CCC(CC3)CN)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C1=CC=CC=C1)NC2=NC=C(C(=N2)NCC3CCC(CC3)CN)[N+](=O)[O-]

InChI

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