N-(4-iodophenyl)-5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-amine

Systemtic Name: N-(4-iodophenyl)-5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-amine Openeye Name: 6-(4-benzyl-1-piperidyl)-N-(4-iodophenyl)-5-nitro-pyrimidin-4-amine CAS Name: N-(4-iodophenyl)-5-nitro-6-[4-(phenylmethyl)-1-piperidinyl]-4-pyrimidinamine IUPAC Name: 6-(4-benzylpiperidin-1-yl)-N-(4-iodophenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzylpiperidino)-5-nitro-pyrimidin-4-yl]-(4-iodophenyl)amine Formula: C22H22IN5O2 MolecularWeight: 515.34685

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=NC=N3)NC4=CC=C(C=C4)I)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=NC=N3)NC4=CC=C(C=C4)I)[N+](=O)[O-]

InChI

InChI=1S/C22H22IN5O2/c23-18-6-8-19(9-7-18)26-21-20(28(29)30)22(25-15-24-21)27-12-10-17(11-13-27)14-16-4-2-1-3-5-16/h1-9,15,17H,10-14H2,(H,24,25,26)