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

Systemtic Name: N4-(4-methylpiperazin-1-yl)-5-nitro-N6-(4-phenyldiazenylphenyl)pyrimidine-4,6-diamine Openeye Name: N4-(4-methylpiperazin-1-yl)-5-nitro-N6-(4-phenylazophenyl)pyrimidine-4,6-diamine CAS Name: N4-(4-methyl-1-piperazinyl)-5-nitro-N6-(4-phenyldiazenylphenyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(4-methylpiperazin-1-yl)-5-nitro-6-N-(4-phenyldiazenylphenyl)pyrimidine-4,6-diamine Traditional Name: (4-methylpiperazino)-[5-nitro-6-(4-phenylazoanilino)pyrimidin-4-yl]amine Formula: C21H23N9O2 MolecularWeight: 433.46642

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)N=NC4=CC=CC=C4

Isomeric SMILES

CN1CCN(CC1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)N=NC4=CC=CC=C4

InChI

InChI=1S/C21H23N9O2/c1-28-11-13-29(14-12-28)27-21-19(30(31)32)20(22-15-23-21)24-16-7-9-18(10-8-16)26-25-17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3,(H2,22,23,24,27)