[2-[(4,6-dimethylpyrimidin-2-yl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3H-phthalazine-1-carboxylate

Systemtic Name: [2-[(4,6-dimethylpyrimidin-2-yl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: [2-[(4,6-dimethylpyrimidin-2-yl)amino]-2-oxo-ethyl] 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid [2-[(4,6-dimethyl-2-pyrimidinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4,6-dimethylpyrimidin-2-yl)amino]-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid [2-[(4,6-dimethylpyrimidin-2-yl)amino]-2-keto-ethyl] ester Formula: C17H15N5O4 MolecularWeight: 353.3321

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=O)COC(=O)C2=NNC(=O)C3=CC=CC=C32)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC(=O)COC(=O)C2=NNC(=O)C3=CC=CC=C32)C

InChI

InChI=1S/C17H15N5O4/c1-9-7-10(2)19-17(18-9)20-13(23)8-26-16(25)14-11-5-3-4-6-12(11)15(24)22-21-14/h3-7H,8H2,1-2H3,(H,22,24)(H,18,19,20,23)