5-nitro-N4-(4-phenyldiazenylphenyl)-N6-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine

Systemtic Name: 5-nitro-N4-(4-phenyldiazenylphenyl)-N6-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine Openeye Name: 5-nitro-N4-(4-phenylazophenyl)-N6-(3-pyridylmethyl)pyrimidine-4,6-diamine CAS Name: 5-nitro-N4-(4-phenyldiazenylphenyl)-N6-(3-pyridinylmethyl)pyrimidine-4,6-diamine IUPAC Name: 5-nitro-4-N-(4-phenyldiazenylphenyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine Traditional Name: [5-nitro-6-(4-phenylazoanilino)pyrimidin-4-yl]-(3-pyridylmethyl)amine Formula: C22H18N8O2 MolecularWeight: 426.43072

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NC3=C(C(=NC=N3)NCC4=CN=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NC3=C(C(=NC=N3)NCC4=CN=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H18N8O2/c31-30(32)20-21(24-14-16-5-4-12-23-13-16)25-15-26-22(20)27-17-8-10-19(11-9-17)29-28-18-6-2-1-3-7-18/h1-13,15H,14H2,(H2,24,25,26,27)