N-(1-adamantyl)-6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(1-adamantyl)-6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine Openeye Name: N-(1-adamantyl)-6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine CAS Name: N-(1-adamantyl)-6-[4-(3-chlorophenyl)-1-piperazinyl]-5-nitro-4-pyrimidinamine IUPAC Name: N-(1-adamantyl)-6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-amine Traditional Name: 1-adamantyl-[6-[4-(3-chlorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]amine Formula: C24H29ClN6O2 MolecularWeight: 468.97906

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C3=C(C(=NC=N3)NC45CC6CC(C4)CC(C6)C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C3=C(C(=NC=N3)NC45CC6CC(C4)CC(C6)C5)[N+](=O)[O-]

InChI

InChI=1S/C24H29ClN6O2/c25-19-2-1-3-20(11-19)29-4-6-30(7-5-29)23-21(31(32)33)22(26-15-27-23)28-24-12-16-8-17(13-24)10-18(9-16)14-24/h1-3,11,15-18H,4-10,12-14H2,(H,26,27,28)