N-(2,4-dimethoxyphenyl)-5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-amine

Systemtic Name: N-(2,4-dimethoxyphenyl)-5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-amine Openeye Name: 6-(4-benzyl-1-piperidyl)-N-(2,4-dimethoxyphenyl)-5-nitro-pyrimidin-4-amine CAS Name: N-(2,4-dimethoxyphenyl)-5-nitro-6-[4-(phenylmethyl)-1-piperidinyl]-4-pyrimidinamine IUPAC Name: 6-(4-benzylpiperidin-1-yl)-N-(2,4-dimethoxyphenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzylpiperidino)-5-nitro-pyrimidin-4-yl]-(2,4-dimethoxyphenyl)amine Formula: C24H27N5O4 MolecularWeight: 449.50228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)CC4=CC=CC=C4)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)CC4=CC=CC=C4)OC

InChI

InChI=1S/C24H27N5O4/c1-32-19-8-9-20(21(15-19)33-2)27-23-22(29(30)31)24(26-16-25-23)28-12-10-18(11-13-28)14-17-6-4-3-5-7-17/h3-9,15-16,18H,10-14H2,1-2H3,(H,25,26,27)