5-nitro-N-(4-phenoxyphenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine

Systemtic Name: 5-nitro-N-(4-phenoxyphenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine Openeye Name: 5-nitro-N-(4-phenoxyphenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine CAS Name: 5-nitro-N-(4-phenoxyphenyl)-6-(4-phenyl-1-piperazinyl)-4-pyrimidinamine IUPAC Name: 5-nitro-N-(4-phenoxyphenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine Traditional Name: [5-nitro-6-(4-phenylpiperazino)pyrimidin-4-yl]-(4-phenoxyphenyl)amine Formula: C26H24N6O3 MolecularWeight: 468.50716

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=C(C(=NC=N3)NC4=CC=C(C=C4)OC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=C(C(=NC=N3)NC4=CC=C(C=C4)OC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C26H24N6O3/c33-32(34)24-25(29-20-11-13-23(14-12-20)35-22-9-5-2-6-10-22)27-19-28-26(24)31-17-15-30(16-18-31)21-7-3-1-4-8-21/h1-14,19H,15-18H2,(H,27,28,29)