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

Systemtic Name: N-(1-adamantylmethyl)-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-amine Openeye Name: N-(1-adamantylmethyl)-6-(4-benzylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine CAS Name: N-(1-adamantylmethyl)-5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinamine IUPAC Name: N-(1-adamantylmethyl)-6-(4-benzylpiperazin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: 1-adamantylmethyl-[6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]amine Formula: C26H34N6O2 MolecularWeight: 462.58716

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC=N3)NCC45CC6CC(C4)CC(C6)C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC=N3)NCC45CC6CC(C4)CC(C6)C5)[N+](=O)[O-]

InChI

InChI=1S/C26H34N6O2/c33-32(34)23-24(27-17-26-13-20-10-21(14-26)12-22(11-20)15-26)28-18-29-25(23)31-8-6-30(7-9-31)16-19-4-2-1-3-5-19/h1-5,18,20-22H,6-17H2,(H,27,28,29)