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

Systemtic Name: N6-(3-methylbutyl)-5-nitro-N4-(4-phenyldiazenylphenyl)pyrimidine-4,6-diamine Openeye Name: N6-isopentyl-5-nitro-N4-(4-phenylazophenyl)pyrimidine-4,6-diamine CAS Name: N6-(3-methylbutyl)-5-nitro-N4-(4-phenyldiazenylphenyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-(3-methylbutyl)-5-nitro-4-N-(4-phenyldiazenylphenyl)pyrimidine-4,6-diamine Traditional Name: isoamyl-[5-nitro-6-(4-phenylazoanilino)pyrimidin-4-yl]amine Formula: C21H23N7O2 MolecularWeight: 405.45302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)N=NC3=CC=CC=C3

Isomeric SMILES

CC(C)CCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)N=NC3=CC=CC=C3

InChI

InChI=1S/C21H23N7O2/c1-15(2)12-13-22-20-19(28(29)30)21(24-14-23-20)25-16-8-10-18(11-9-16)27-26-17-6-4-3-5-7-17/h3-11,14-15H,12-13H2,1-2H3,(H2,22,23,24,25)