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

Systemtic Name: N-(1-adamantyl)-6-[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine Openeye Name: N-(1-adamantyl)-6-(4-benzhydrylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine CAS Name: N-(1-adamantyl)-6-[4-(diphenylmethyl)-1-piperazinyl]-5-nitro-4-pyrimidinamine IUPAC Name: N-(1-adamantyl)-6-(4-benzhydrylpiperazin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: 1-adamantyl-[6-(4-benzhydrylpiperazino)-5-nitro-pyrimidin-4-yl]amine Formula: C31H36N6O2 MolecularWeight: 524.65654

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=NC=N2)NC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-])C(C6=CC=CC=C6)C7=CC=CC=C7

Isomeric SMILES

C1CN(CCN1C2=C(C(=NC=N2)NC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-])C(C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C31H36N6O2/c38-37(39)28-29(34-31-18-22-15-23(19-31)17-24(16-22)20-31)32-21-33-30(28)36-13-11-35(12-14-36)27(25-7-3-1-4-8-25)26-9-5-2-6-10-26/h1-10,21-24,27H,11-20H2,(H,32,33,34)