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

Systemtic Name: 4-(6-azanyl-5-nitro-pyrimidin-4-yl)-1-(phenylmethyl)piperazine-2,6-dione Openeye Name: 4-(6-amino-5-nitro-pyrimidin-4-yl)-1-benzyl-piperazine-2,6-dione CAS Name: 4-(6-amino-5-nitro-4-pyrimidinyl)-1-(phenylmethyl)piperazine-2,6-dione IUPAC Name: 4-(6-amino-5-nitropyrimidin-4-yl)-1-benzylpiperazine-2,6-dione Traditional Name: 4-(6-amino-5-nitro-pyrimidin-4-yl)-1-benzyl-piperazine-2,6-quinone Formula: C15H14N6O4 MolecularWeight: 342.30946

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C(=O)CN1C2=C(C(=NC=N2)N)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

C1C(=O)N(C(=O)CN1C2=C(C(=NC=N2)N)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C15H14N6O4/c16-14-13(21(24)25)15(18-9-17-14)19-7-11(22)20(12(23)8-19)6-10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H2,16,17,18)