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

Systemtic Name: 2-(azepan-1-yl)-5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-amine Openeye Name: 2-(azepan-1-yl)-6-(4-benzyl-1-piperidyl)-5-nitro-pyrimidin-4-amine CAS Name: 2-(1-azepanyl)-5-nitro-6-[4-(phenylmethyl)-1-piperidinyl]-4-pyrimidinamine IUPAC Name: 2-(azepan-1-yl)-6-(4-benzylpiperidin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: [2-(azepan-1-yl)-6-(4-benzylpiperidino)-5-nitro-pyrimidin-4-yl]amine Formula: C22H30N6O2 MolecularWeight: 410.5126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H30N6O2/c23-20-19(28(29)30)21(25-22(24-20)27-12-6-1-2-7-13-27)26-14-10-18(11-15-26)16-17-8-4-3-5-9-17/h3-5,8-9,18H,1-2,6-7,10-16H2,(H2,23,24,25)