methyl 4-(4,6-dimethylpyrimidin-2-yl)sulfanylphthalazine-1-carboxylate

Systemtic Name: methyl 4-(4,6-dimethylpyrimidin-2-yl)sulfanylphthalazine-1-carboxylate Openeye Name: methyl 4-(4,6-dimethylpyrimidin-2-yl)sulfanylphthalazine-1-carboxylate CAS Name: 4-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-phthalazinecarboxylic acid methyl ester IUPAC Name: methyl 4-(4,6-dimethylpyrimidin-2-yl)sulfanylphthalazine-1-carboxylate Traditional Name: 4-[(4,6-dimethylpyrimidin-2-yl)thio]phthalazine-1-carboxylic acid methyl ester Formula: C16H14N4O2S MolecularWeight: 326.37296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=NN=C(C3=CC=CC=C32)C(=O)OC)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=NN=C(C3=CC=CC=C32)C(=O)OC)C

InChI

InChI=1S/C16H14N4O2S/c1-9-8-10(2)18-16(17-9)23-14-12-7-5-4-6-11(12)13(19-20-14)15(21)22-3/h4-8H,1-3H3