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

Systemtic Name: 2-[4-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]piperazin-1-yl]ethanol Openeye Name: 2-[4-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]piperazin-1-yl]ethanol CAS Name: 2-[4-[6-[4-(2,3-dimethylphenyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]-1-piperazinyl]ethanol IUPAC Name: 2-[4-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]piperazin-1-yl]ethanol Traditional Name: 2-[4-[6-[4-(2,3-dimethylphenyl)piperazino]-5-nitro-pyrimidin-4-yl]piperazino]ethanol Formula: C22H31N7O3 MolecularWeight: 441.52664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C(=NC=N3)N4CCN(CC4)CCO)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C(=NC=N3)N4CCN(CC4)CCO)[N+](=O)[O-])C

InChI

InChI=1S/C22H31N7O3/c1-17-4-3-5-19(18(17)2)26-10-12-28(13-11-26)22-20(29(31)32)21(23-16-24-22)27-8-6-25(7-9-27)14-15-30/h3-5,16,30H,6-15H2,1-2H3