6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-N-(4-phenyldiazenylphenyl)pyrimidin-4-amine

Systemtic Name: 6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-N-(4-phenyldiazenylphenyl)pyrimidin-4-amine Openeye Name: 6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-N-(4-phenylazophenyl)pyrimidin-4-amine CAS Name: 6-[4-(4-methoxyphenyl)-1-piperazinyl]-5-nitro-N-(4-phenyldiazenylphenyl)-4-pyrimidinamine IUPAC Name: 6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-N-(4-phenyldiazenylphenyl)pyrimidin-4-amine Traditional Name: [6-[4-(4-methoxyphenyl)piperazino]-5-nitro-pyrimidin-4-yl]-(4-phenylazophenyl)amine Formula: C27H26N8O3 MolecularWeight: 510.54714

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C3=C(C(=NC=N3)NC4=CC=C(C=C4)N=NC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C3=C(C(=NC=N3)NC4=CC=C(C=C4)N=NC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H26N8O3/c1-38-24-13-11-23(12-14-24)33-15-17-34(18-16-33)27-25(35(36)37)26(28-19-29-27)30-20-7-9-22(10-8-20)32-31-21-5-3-2-4-6-21/h2-14,19H,15-18H2,1H3,(H,28,29,30)