4-(6-azanyl-5-nitro-pyrimidin-4-yl)-1-phenethyl-piperazine-2,6-dione

Systemtic Name: 4-(6-azanyl-5-nitro-pyrimidin-4-yl)-1-phenethyl-piperazine-2,6-dione Openeye Name: 4-(6-amino-5-nitro-pyrimidin-4-yl)-1-phenethyl-piperazine-2,6-dione CAS Name: 4-(6-amino-5-nitro-4-pyrimidinyl)-1-phenethylpiperazine-2,6-dione IUPAC Name: 4-(6-amino-5-nitropyrimidin-4-yl)-1-phenethylpiperazine-2,6-dione Traditional Name: 4-(6-amino-5-nitro-pyrimidin-4-yl)-1-phenethyl-piperazine-2,6-quinone Formula: C16H16N6O4 MolecularWeight: 356.33604

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C(=O)CN1C2=C(C(=NC=N2)N)[N+](=O)[O-])CCC3=CC=CC=C3

Isomeric SMILES

C1C(=O)N(C(=O)CN1C2=C(C(=NC=N2)N)[N+](=O)[O-])CCC3=CC=CC=C3

InChI

InChI=1S/C16H16N6O4/c17-15-14(22(25)26)16(19-10-18-15)20-8-12(23)21(13(24)9-20)7-6-11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H2,17,18,19)