N-(1-adamantyl)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(1-adamantyl)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine Openeye Name: N-(1-adamantyl)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine CAS Name: N-(1-adamantyl)-6-[4-(2,3-dimethylphenyl)-1-piperazinyl]-5-nitro-4-pyrimidinamine IUPAC Name: N-(1-adamantyl)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitropyrimidin-4-amine Traditional Name: 1-adamantyl-[6-[4-(2,3-dimethylphenyl)piperazino]-5-nitro-pyrimidin-4-yl]amine Formula: C26H34N6O2 MolecularWeight: 462.58716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C(=NC=N3)NC45CC6CC(C4)CC(C6)C5)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C(=NC=N3)NC45CC6CC(C4)CC(C6)C5)[N+](=O)[O-])C

InChI

InChI=1S/C26H34N6O2/c1-17-4-3-5-22(18(17)2)30-6-8-31(9-7-30)25-23(32(33)34)24(27-16-28-25)29-26-13-19-10-20(14-26)12-21(11-19)15-26/h3-5,16,19-21H,6-15H2,1-2H3,(H,27,28,29)