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

Systemtic Name: 5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]-N-pyridin-4-yl-pyrimidin-4-amine Openeye Name: 6-(4-benzyl-1-piperidyl)-5-nitro-N-(4-pyridyl)pyrimidin-4-amine CAS Name: 5-nitro-6-[4-(phenylmethyl)-1-piperidinyl]-N-pyridin-4-yl-4-pyrimidinamine IUPAC Name: 6-(4-benzylpiperidin-1-yl)-5-nitro-N-pyridin-4-ylpyrimidin-4-amine Traditional Name: [6-(4-benzylpiperidino)-5-nitro-pyrimidin-4-yl]-(4-pyridyl)amine Formula: C21H22N6O2 MolecularWeight: 390.43838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N6O2/c28-27(29)19-20(25-18-6-10-22-11-7-18)23-15-24-21(19)26-12-8-17(9-13-26)14-16-4-2-1-3-5-16/h1-7,10-11,15,17H,8-9,12-14H2,(H,22,23,24,25)