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

Systemtic Name: N6-[2-(cyclohexen-1-yl)ethyl]-N4-methyl-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N4-benzyl-N6-[2-(cyclohexen-1-yl)ethyl]-N4-methyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-[2-(1-cyclohexenyl)ethyl]-N4-methyl-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-6-N-[2-(cyclohexen-1-yl)ethyl]-4-N-methyl-5-nitropyrimidine-4,6-diamine Traditional Name: benzyl-[6-[2-(cyclohexen-1-yl)ethylamino]-5-nitro-pyrimidin-4-yl]-methyl-amine Formula: C20H25N5O2 MolecularWeight: 367.4448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])NCCC3=CCCCC3

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])NCCC3=CCCCC3

InChI

InChI=1S/C20H25N5O2/c1-24(14-17-10-6-3-7-11-17)20-18(25(26)27)19(22-15-23-20)21-13-12-16-8-4-2-5-9-16/h3,6-8,10-11,15H,2,4-5,9,12-14H2,1H3,(H,21,22,23)