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

Systemtic Name: N-(1-adamantyl)-5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-amine Openeye Name: N-(1-adamantyl)-6-(4-benzyl-1-piperidyl)-5-nitro-pyrimidin-4-amine CAS Name: N-(1-adamantyl)-5-nitro-6-[4-(phenylmethyl)-1-piperidinyl]-4-pyrimidinamine IUPAC Name: N-(1-adamantyl)-6-(4-benzylpiperidin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: 1-adamantyl-[6-(4-benzylpiperidino)-5-nitro-pyrimidin-4-yl]amine Formula: C26H33N5O2 MolecularWeight: 447.57252

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=NC=N3)NC45CC6CC(C4)CC(C6)C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=NC=N3)NC45CC6CC(C4)CC(C6)C5)[N+](=O)[O-]

InChI

InChI=1S/C26H33N5O2/c32-31(33)23-24(29-26-14-20-11-21(15-26)13-22(12-20)16-26)27-17-28-25(23)30-8-6-19(7-9-30)10-18-4-2-1-3-5-18/h1-5,17,19-22H,6-16H2,(H,27,28,29)