5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]-N-(pyridin-3-ylmethyl)pyrimidin-4-amine

Systemtic Name: 5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]-N-(pyridin-3-ylmethyl)pyrimidin-4-amine Openeye Name: 6-(4-benzyl-1-piperidyl)-5-nitro-N-(3-pyridylmethyl)pyrimidin-4-amine CAS Name: 5-nitro-6-[4-(phenylmethyl)-1-piperidinyl]-N-(3-pyridinylmethyl)-4-pyrimidinamine IUPAC Name: 6-(4-benzylpiperidin-1-yl)-5-nitro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine Traditional Name: [6-(4-benzylpiperidino)-5-nitro-pyrimidin-4-yl]-(3-pyridylmethyl)amine Formula: C22H24N6O2 MolecularWeight: 404.46496

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=NC=N3)NCC4=CN=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=NC=N3)NCC4=CN=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H24N6O2/c29-28(30)20-21(24-15-19-7-4-10-23-14-19)25-16-26-22(20)27-11-8-18(9-12-27)13-17-5-2-1-3-6-17/h1-7,10,14,16,18H,8-9,11-13,15H2,(H,24,25,26)