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

Systemtic Name: N6-[2-(cyclohexen-1-yl)ethyl]-N4-(2,3-dimethylphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-[2-(cyclohexen-1-yl)ethyl]-N4-(2,3-dimethylphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-[2-(1-cyclohexenyl)ethyl]-N4-(2,3-dimethylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(2,3-dimethylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: 2-(cyclohexen-1-yl)ethyl-[6-(2,3-dimethylanilino)-5-nitro-pyrimidin-4-yl]amine Formula: C20H25N5O2 MolecularWeight: 367.4448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC2=C(C(=NC=N2)NCCC3=CCCCC3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)NC2=C(C(=NC=N2)NCCC3=CCCCC3)[N+](=O)[O-])C

InChI

InChI=1S/C20H25N5O2/c1-14-7-6-10-17(15(14)2)24-20-18(25(26)27)19(22-13-23-20)21-12-11-16-8-4-3-5-9-16/h6-8,10,13H,3-5,9,11-12H2,1-2H3,(H2,21,22,23,24)