N-(3-imidazol-1-ylpropyl)-5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-amine

Systemtic Name: N-(3-imidazol-1-ylpropyl)-5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-amine Openeye Name: N-(3-imidazol-1-ylpropyl)-5-nitro-6-[2-(4-nitrophenyl)hydrazino]pyrimidin-4-amine CAS Name: N-[3-(1-imidazolyl)propyl]-5-nitro-6-[(4-nitrophenyl)hydrazo]-4-pyrimidinamine IUPAC Name: N-(3-imidazol-1-ylpropyl)-5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-amine Traditional Name: 3-imidazol-1-ylpropyl-[5-nitro-6-[N'-(4-nitrophenyl)hydrazino]pyrimidin-4-yl]amine Formula: C16H17N9O4 MolecularWeight: 399.36408

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NNC2=NC=NC(=C2[N+](=O)[O-])NCCCN3C=CN=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NNC2=NC=NC(=C2[N+](=O)[O-])NCCCN3C=CN=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H17N9O4/c26-24(27)13-4-2-12(3-5-13)21-22-16-14(25(28)29)15(19-10-20-16)18-6-1-8-23-9-7-17-11-23/h2-5,7,9-11,21H,1,6,8H2,(H2,18,19,20,22)