5-nitro-N-(4-phenyldiazenylphenyl)-6-piperidin-1-yl-pyrimidin-4-amine

Systemtic Name: 5-nitro-N-(4-phenyldiazenylphenyl)-6-piperidin-1-yl-pyrimidin-4-amine Openeye Name: 5-nitro-N-(4-phenylazophenyl)-6-(1-piperidyl)pyrimidin-4-amine CAS Name: 5-nitro-N-(4-phenyldiazenylphenyl)-6-(1-piperidinyl)-4-pyrimidinamine IUPAC Name: 5-nitro-N-(4-phenyldiazenylphenyl)-6-piperidin-1-ylpyrimidin-4-amine Traditional Name: (5-nitro-6-piperidino-pyrimidin-4-yl)-(4-phenylazophenyl)amine Formula: C21H21N7O2 MolecularWeight: 403.43714

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C(=NC=N2)NC3=CC=C(C=C3)N=NC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C(=NC=N2)NC3=CC=C(C=C3)N=NC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N7O2/c29-28(30)19-20(22-15-23-21(19)27-13-5-2-6-14-27)24-16-9-11-18(12-10-16)26-25-17-7-3-1-4-8-17/h1,3-4,7-12,15H,2,5-6,13-14H2,(H,22,23,24)