N4-(4-butoxyphenyl)-N6-[2-(cyclohexen-1-yl)ethyl]-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(4-butoxyphenyl)-N6-[2-(cyclohexen-1-yl)ethyl]-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(4-butoxyphenyl)-N6-[2-(cyclohexen-1-yl)ethyl]-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(4-butoxyphenyl)-N6-[2-(1-cyclohexenyl)ethyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(4-butoxyphenyl)-6-N-[2-(cyclohexen-1-yl)ethyl]-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(4-butoxyanilino)-5-nitro-pyrimidin-4-yl]-[2-(cyclohexen-1-yl)ethyl]amine Formula: C22H29N5O3 MolecularWeight: 411.49736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)NCCC3=CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)NCCC3=CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H29N5O3/c1-2-3-15-30-19-11-9-18(10-12-19)26-22-20(27(28)29)21(24-16-25-22)23-14-13-17-7-5-4-6-8-17/h7,9-12,16H,2-6,8,13-15H2,1H3,(H2,23,24,25,26)