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

Systemtic Name: 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-N-(2-piperidin-1-ylethyl)pyrimidin-4-amine Openeye Name: 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-N-[2-(1-piperidyl)ethyl]pyrimidin-4-amine CAS Name: 6-[4-(2,3-dimethylphenyl)-1-piperazinyl]-5-nitro-N-[2-(1-piperidinyl)ethyl]-4-pyrimidinamine IUPAC Name: 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-N-(2-piperidin-1-ylethyl)pyrimidin-4-amine Traditional Name: [6-[4-(2,3-dimethylphenyl)piperazino]-5-nitro-pyrimidin-4-yl]-(2-piperidinoethyl)amine Formula: C23H33N7O2 MolecularWeight: 439.55382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C(=NC=N3)NCCN4CCCCC4)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C(=NC=N3)NCCN4CCCCC4)[N+](=O)[O-])C

InChI

InChI=1S/C23H33N7O2/c1-18-7-6-8-20(19(18)2)28-13-15-29(16-14-28)23-21(30(31)32)22(25-17-26-23)24-9-12-27-10-4-3-5-11-27/h6-8,17H,3-5,9-16H2,1-2H3,(H,24,25,26)