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

Systemtic Name: N4-[[4-(aminomethyl)cyclohexyl]methyl]-N2-[(2-ethoxyphenyl)methyl]-5-nitro-pyrimidine-2,4-diamine Openeye Name: N4-[[4-(aminomethyl)cyclohexyl]methyl]-N2-[(2-ethoxyphenyl)methyl]-5-nitro-pyrimidine-2,4-diamine CAS Name: N4-[[4-(aminomethyl)cyclohexyl]methyl]-N2-[(2-ethoxyphenyl)methyl]-5-nitropyrimidine-2,4-diamine IUPAC Name: 4-N-[[4-(aminomethyl)cyclohexyl]methyl]-2-N-[(2-ethoxyphenyl)methyl]-5-nitropyrimidine-2,4-diamine Traditional Name: [4-(aminomethyl)cyclohexyl]methyl-[2-[(2-ethoxybenzyl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C21H30N6O3 MolecularWeight: 414.5013

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CNC2=NC=C(C(=N2)NCC3CCC(CC3)CN)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1CNC2=NC=C(C(=N2)NCC3CCC(CC3)CN)[N+](=O)[O-]

InChI

InChI=1S/C21H30N6O3/c1-2-30-19-6-4-3-5-17(19)13-24-21-25-14-18(27(28)29)20(26-21)23-12-16-9-7-15(11-22)8-10-16/h3-6,14-16H,2,7-13,22H2,1H3,(H2,23,24,25,26)