5-nitro-N-(3-nitrophenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine

Systemtic Name: 5-nitro-N-(3-nitrophenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine Openeye Name: 5-nitro-N-(3-nitrophenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine CAS Name: 5-nitro-N-(3-nitrophenyl)-6-(4-phenyl-1-piperazinyl)-4-pyrimidinamine IUPAC Name: 5-nitro-N-(3-nitrophenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine Traditional Name: (3-nitrophenyl)-[5-nitro-6-(4-phenylpiperazino)pyrimidin-4-yl]amine Formula: C20H19N7O4 MolecularWeight: 421.40936

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=C(C(=NC=N3)NC4=CC(=CC=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=C(C(=NC=N3)NC4=CC(=CC=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H19N7O4/c28-26(29)17-8-4-5-15(13-17)23-19-18(27(30)31)20(22-14-21-19)25-11-9-24(10-12-25)16-6-2-1-3-7-16/h1-8,13-14H,9-12H2,(H,21,22,23)