N6-[2-(cyclohexen-1-yl)ethyl]-N4-ethyl-N4-(3-methylphenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-[2-(cyclohexen-1-yl)ethyl]-N4-ethyl-N4-(3-methylphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-[2-(cyclohexen-1-yl)ethyl]-N4-ethyl-N4-(m-tolyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-[2-(1-cyclohexenyl)ethyl]-N4-ethyl-N4-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-[2-(cyclohexen-1-yl)ethyl]-4-N-ethyl-4-N-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-[2-(cyclohexen-1-yl)ethylamino]-5-nitro-pyrimidin-4-yl]-ethyl-(m-tolyl)amine Formula: C21H27N5O2 MolecularWeight: 381.47138

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC(=C1)C)C2=NC=NC(=C2[N+](=O)[O-])NCCC3=CCCCC3

Isomeric SMILES

CCN(C1=CC=CC(=C1)C)C2=NC=NC(=C2[N+](=O)[O-])NCCC3=CCCCC3

InChI

InChI=1S/C21H27N5O2/c1-3-25(18-11-7-8-16(2)14-18)21-19(26(27)28)20(23-15-24-21)22-13-12-17-9-5-4-6-10-17/h7-9,11,14-15H,3-6,10,12-13H2,1-2H3,(H,22,23,24)