N6-(4-butoxyphenyl)-N4-cyclohexyl-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-(4-butoxyphenyl)-N4-cyclohexyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(4-butoxyphenyl)-N4-cyclohexyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(4-butoxyphenyl)-N4-cyclohexyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(4-butoxyphenyl)-4-N-cyclohexyl-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(4-butoxyanilino)-5-nitro-pyrimidin-4-yl]-cyclohexyl-amine Formula: C20H27N5O3 MolecularWeight: 385.46008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H27N5O3/c1-2-3-13-28-17-11-9-16(10-12-17)24-20-18(25(26)27)19(21-14-22-20)23-15-7-5-4-6-8-15/h9-12,14-15H,2-8,13H2,1H3,(H2,21,22,23,24)