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

Systemtic Name: 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-N-(4-phenoxyphenyl)pyrimidin-4-amine Openeye Name: 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-N-(4-phenoxyphenyl)pyrimidin-4-amine CAS Name: 6-[4-(2,3-dimethylphenyl)-1-piperazinyl]-5-nitro-N-(4-phenoxyphenyl)-4-pyrimidinamine IUPAC Name: 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-N-(4-phenoxyphenyl)pyrimidin-4-amine Traditional Name: [6-[4-(2,3-dimethylphenyl)piperazino]-5-nitro-pyrimidin-4-yl]-(4-phenoxyphenyl)amine Formula: C28H28N6O3 MolecularWeight: 496.56032

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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)OC5=CC=CC=C5)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C(=NC=N3)NC4=CC=C(C=C4)OC5=CC=CC=C5)[N+](=O)[O-])C

InChI

InChI=1S/C28H28N6O3/c1-20-7-6-10-25(21(20)2)32-15-17-33(18-16-32)28-26(34(35)36)27(29-19-30-28)31-22-11-13-24(14-12-22)37-23-8-4-3-5-9-23/h3-14,19H,15-18H2,1-2H3,(H,29,30,31)