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

Systemtic Name: 5-nitro-N-(3-nitrophenyl)-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-amine Openeye Name: 6-(4-benzyl-1-piperidyl)-5-nitro-N-(3-nitrophenyl)pyrimidin-4-amine CAS Name: 5-nitro-N-(3-nitrophenyl)-6-[4-(phenylmethyl)-1-piperidinyl]-4-pyrimidinamine IUPAC Name: 6-(4-benzylpiperidin-1-yl)-5-nitro-N-(3-nitrophenyl)pyrimidin-4-amine Traditional Name: [6-(4-benzylpiperidino)-5-nitro-pyrimidin-4-yl]-(3-nitrophenyl)amine Formula: C22H22N6O4 MolecularWeight: 434.44788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N6O4/c29-27(30)19-8-4-7-18(14-19)25-21-20(28(31)32)22(24-15-23-21)26-11-9-17(10-12-26)13-16-5-2-1-3-6-16/h1-8,14-15,17H,9-13H2,(H,23,24,25)