N-(1-adamantyl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine

Systemtic Name: N-(1-adamantyl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine Openeye Name: N-(1-adamantyl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine CAS Name: N-(1-adamantyl)-5-nitro-6-(4-phenyl-1-piperazinyl)-4-pyrimidinamine IUPAC Name: N-(1-adamantyl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine Traditional Name: 1-adamantyl-[5-nitro-6-(4-phenylpiperazino)pyrimidin-4-yl]amine Formula: C24H30N6O2 MolecularWeight: 434.534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N6O2/c31-30(32)21-22(27-24-13-17-10-18(14-24)12-19(11-17)15-24)25-16-26-23(21)29-8-6-28(7-9-29)20-4-2-1-3-5-20/h1-5,16-19H,6-15H2,(H,25,26,27)