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

Systemtic Name: 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(4-methoxyphenyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(4-methoxyphenyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(2,3-dimethylphenyl)-1-piperazinyl]-N-(4-methoxyphenyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(4-methoxyphenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-[4-(2,3-dimethylphenyl)piperazino]-5-nitro-pyrimidin-4-yl]-(4-methoxyphenyl)amine Formula: C23H26N6O3 MolecularWeight: 434.49094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C(=NC=N3)NC4=CC=C(C=C4)OC)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C(=NC=N3)NC4=CC=C(C=C4)OC)[N+](=O)[O-])C

InChI

InChI=1S/C23H26N6O3/c1-16-5-4-6-20(17(16)2)27-11-13-28(14-12-27)23-21(29(30)31)22(24-15-25-23)26-18-7-9-19(32-3)10-8-18/h4-10,15H,11-14H2,1-3H3,(H,24,25,26)