N2-[[2-(2-aminophenyl)sulfanylphenyl]methyl]-N4-[(4-azanylcyclohexyl)methyl]-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N2-[[2-(2-aminophenyl)sulfanylphenyl]methyl]-N4-[(4-azanylcyclohexyl)methyl]-5-nitro-pyrimidine-2,4-diamine Openeye Name: N4-[(4-aminocyclohexyl)methyl]-N2-[[2-(2-aminophenyl)sulfanylphenyl]methyl]-5-nitro-pyrimidine-2,4-diamine CAS Name: N4-[(4-aminocyclohexyl)methyl]-N2-[[2-[(2-aminophenyl)thio]phenyl]methyl]-5-nitropyrimidine-2,4-diamine IUPAC Name: 4-N-[(4-aminocyclohexyl)methyl]-2-N-[[2-(2-aminophenyl)sulfanylphenyl]methyl]-5-nitropyrimidine-2,4-diamine Traditional Name: (4-aminocyclohexyl)methyl-[2-[[2-[(2-aminophenyl)thio]benzyl]amino]-5-nitro-pyrimidin-4-yl]amine Formula: C24H29N7O2S MolecularWeight: 479.59776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CNC2=NC(=NC=C2[N+](=O)[O-])NCC3=CC=CC=C3SC4=CC=CC=C4N)N

Isomeric SMILES

C1CC(CCC1CNC2=NC(=NC=C2[N+](=O)[O-])NCC3=CC=CC=C3SC4=CC=CC=C4N)N

InChI

InChI=1S/C24H29N7O2S/c25-18-11-9-16(10-12-18)13-27-23-20(31(32)33)15-29-24(30-23)28-14-17-5-1-3-7-21(17)34-22-8-4-2-6-19(22)26/h1-8,15-16,18H,9-14,25-26H2,(H2,27,28,29,30)