N4-cyclohexyl-5-nitro-2-[4-(phenylmethyl)piperidin-1-yl]pyrimidine-4,6-diamine

Systemtic Name: N4-cyclohexyl-5-nitro-2-[4-(phenylmethyl)piperidin-1-yl]pyrimidine-4,6-diamine Openeye Name: 2-(4-benzyl-1-piperidyl)-N4-cyclohexyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-cyclohexyl-5-nitro-2-[4-(phenylmethyl)-1-piperidinyl]pyrimidine-4,6-diamine IUPAC Name: 2-(4-benzylpiperidin-1-yl)-4-N-cyclohexyl-5-nitropyrimidine-4,6-diamine Traditional Name: [6-amino-2-(4-benzylpiperidino)-5-nitro-pyrimidin-4-yl]-cyclohexyl-amine Formula: C22H30N6O2 MolecularWeight: 410.5126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=NC(=NC(=C2[N+](=O)[O-])N)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)NC2=NC(=NC(=C2[N+](=O)[O-])N)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H30N6O2/c23-20-19(28(29)30)21(24-18-9-5-2-6-10-18)26-22(25-20)27-13-11-17(12-14-27)15-16-7-3-1-4-8-16/h1,3-4,7-8,17-18H,2,5-6,9-15H2,(H3,23,24,25,26)