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

Systemtic Name: 5-nitro-2-[4-(phenylmethyl)piperazin-1-yl]-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-amine Openeye Name: 2-(4-benzylpiperazin-1-yl)-6-(4-benzyl-1-piperidyl)-5-nitro-pyrimidin-4-amine CAS Name: 5-nitro-2-[4-(phenylmethyl)-1-piperazinyl]-6-[4-(phenylmethyl)-1-piperidinyl]-4-pyrimidinamine IUPAC Name: 2-(4-benzylpiperazin-1-yl)-6-(4-benzylpiperidin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: [2-(4-benzylpiperazino)-6-(4-benzylpiperidino)-5-nitro-pyrimidin-4-yl]amine Formula: C27H33N7O2 MolecularWeight: 487.59662

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=NC(=N3)N4CCN(CC4)CC5=CC=CC=C5)N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=NC(=N3)N4CCN(CC4)CC5=CC=CC=C5)N)[N+](=O)[O-]

InChI

InChI=1S/C27H33N7O2/c28-25-24(34(35)36)26(32-13-11-22(12-14-32)19-21-7-3-1-4-8-21)30-27(29-25)33-17-15-31(16-18-33)20-23-9-5-2-6-10-23/h1-10,22H,11-20H2,(H2,28,29,30)