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

Systemtic Name: N-(1-adamantyl)-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-amine Openeye Name: N-(1-adamantyl)-6-(4-benzylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine CAS Name: N-(1-adamantyl)-5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinamine IUPAC Name: N-(1-adamantyl)-6-(4-benzylpiperazin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: 1-adamantyl-[6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]amine Formula: C25H32N6O2 MolecularWeight: 448.56058

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC=N3)NC45CC6CC(C4)CC(C6)C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC=N3)NC45CC6CC(C4)CC(C6)C5)[N+](=O)[O-]

InChI

InChI=1S/C25H32N6O2/c32-31(33)22-23(28-25-13-19-10-20(14-25)12-21(11-19)15-25)26-17-27-24(22)30-8-6-29(7-9-30)16-18-4-2-1-3-5-18/h1-5,17,19-21H,6-16H2,(H,26,27,28)