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

Systemtic Name: 5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]-2-piperidin-1-yl-pyrimidin-4-amine Openeye Name: 6-(4-benzyl-1-piperidyl)-5-nitro-2-(1-piperidyl)pyrimidin-4-amine CAS Name: 5-nitro-6-[4-(phenylmethyl)-1-piperidinyl]-2-(1-piperidinyl)-4-pyrimidinamine IUPAC Name: 6-(4-benzylpiperidin-1-yl)-5-nitro-2-piperidin-1-ylpyrimidin-4-amine Traditional Name: [6-(4-benzylpiperidino)-5-nitro-2-piperidino-pyrimidin-4-yl]amine Formula: C21H28N6O2 MolecularWeight: 396.48602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H28N6O2/c22-19-18(27(28)29)20(24-21(23-19)26-11-5-2-6-12-26)25-13-9-17(10-14-25)15-16-7-3-1-4-8-16/h1,3-4,7-8,17H,2,5-6,9-15H2,(H2,22,23,24)