6-azanyl-5-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoyl]-3-ethyl-1-(phenylmethyl)pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-5-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoyl]-3-ethyl-1-(phenylmethyl)pyrimidine-2,4-dione Openeye Name: 6-amino-1-benzyl-5-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]-3-ethyl-pyrimidine-2,4-dione CAS Name: 6-amino-5-[2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxoethyl]-3-ethyl-1-(phenylmethyl)pyrimidine-2,4-dione IUPAC Name: 6-amino-1-benzyl-5-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]-3-ethylpyrimidine-2,4-dione Traditional Name: 6-amino-1-benzyl-5-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]-3-ethyl-pyrimidine-2,4-quinone Formula: C20H22N6O5 MolecularWeight: 426.42588

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

Isomeric SMILES

CCN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

InChI

InChI=1S/C20H22N6O5/c1-4-23-19(28)16(15(27)11-25-13(3)17(26(30)31)12(2)22-25)18(21)24(20(23)29)10-14-8-6-5-7-9-14/h5-9H,4,10-11,21H2,1-3H3