5-(3-hydroxyphenyl)-1,8-dimethyl-6-oxidanylidene-2H-pyrimido[4,5-c][1,2]diazepine-3-carboxylic acid

Systemtic Name: 5-(3-hydroxyphenyl)-1,8-dimethyl-6-oxidanylidene-2H-pyrimido[4,5-c][1,2]diazepine-3-carboxylic acid Openeye Name: 5-(3-hydroxyphenyl)-1,8-dimethyl-6-oxo-2H-pyrimido[4,5-c]diazepine-3-carboxylic acid CAS Name: 5-(3-hydroxyphenyl)-1,8-dimethyl-6-oxo-2H-pyrimido[4,5-c]diazepine-3-carboxylic acid IUPAC Name: 5-(3-hydroxyphenyl)-1,8-dimethyl-6-oxo-2H-pyrimido[4,5-c]diazepine-3-carboxylic acid Traditional Name: 5-(3-hydroxyphenyl)-6-keto-1,8-dimethyl-2H-pyrimido[4,5-c]diazepine-3-carboxylic acid Formula: C16H14N4O4 MolecularWeight: 326.30676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(C=C(NN(C2=N1)C)C(=O)O)C3=CC(=CC=C3)O

Isomeric SMILES

CC1=NC(=O)C2=C(C=C(NN(C2=N1)C)C(=O)O)C3=CC(=CC=C3)O

InChI

InChI=1S/C16H14N4O4/c1-8-17-14-13(15(22)18-8)11(9-4-3-5-10(21)6-9)7-12(16(23)24)19-20(14)2/h3-7,19,21H,1-2H3,(H,23,24)