N4-(1,3-benzodioxol-5-yl)-5-nitro-N6-(4-phenyldiazenylphenyl)pyrimidine-4,6-diamine

Systemtic Name: N4-(1,3-benzodioxol-5-yl)-5-nitro-N6-(4-phenyldiazenylphenyl)pyrimidine-4,6-diamine Openeye Name: N4-(1,3-benzodioxol-5-yl)-5-nitro-N6-(4-phenylazophenyl)pyrimidine-4,6-diamine CAS Name: N4-(1,3-benzodioxol-5-yl)-5-nitro-N6-(4-phenyldiazenylphenyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(1,3-benzodioxol-5-yl)-5-nitro-6-N-(4-phenyldiazenylphenyl)pyrimidine-4,6-diamine Traditional Name: 1,3-benzodioxol-5-yl-[5-nitro-6-(4-phenylazoanilino)pyrimidin-4-yl]amine Formula: C23H17N7O4 MolecularWeight: 455.42558

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC3=NC=NC(=C3[N+](=O)[O-])NC4=CC=C(C=C4)N=NC5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC3=NC=NC(=C3[N+](=O)[O-])NC4=CC=C(C=C4)N=NC5=CC=CC=C5

InChI

InChI=1S/C23H17N7O4/c31-30(32)21-22(24-13-25-23(21)27-18-10-11-19-20(12-18)34-14-33-19)26-15-6-8-17(9-7-15)29-28-16-4-2-1-3-5-16/h1-13H,14H2,(H2,24,25,26,27)