[2-[(4-methylpyrimidin-2-yl)amino]-2-oxidanylidene-ethyl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [2-[(4-methylpyrimidin-2-yl)amino]-2-oxidanylidene-ethyl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-[(4-methylpyrimidin-2-yl)amino]-2-oxo-ethyl] 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid [2-[(4-methyl-2-pyrimidinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methylpyrimidin-2-yl)amino]-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid [2-keto-2-[(4-methylpyrimidin-2-yl)amino]ethyl] ester Formula: C17H15N5O4 MolecularWeight: 353.3321

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)NC(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)C

Isomeric SMILES

CC1=NC(=NC=C1)NC(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)C

InChI

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