3-[2-(ethynylamino)-6-methyl-pyrimidin-4-yl]-1-methyl-4-oxidanylidene-quinolin-2-olate

Systemtic Name: 3-[2-(ethynylamino)-6-methyl-pyrimidin-4-yl]-1-methyl-4-oxidanylidene-quinolin-2-olate Openeye Name: 3-[2-(ethynylamino)-6-methyl-pyrimidin-4-yl]-1-methyl-4-oxo-quinolin-2-olate CAS Name: 3-[2-(ethynylamino)-6-methyl-4-pyrimidinyl]-1-methyl-4-oxo-2-quinolinolate IUPAC Name: 3-[2-(ethynylamino)-6-methylpyrimidin-4-yl]-1-methyl-4-oxoquinolin-2-olate Traditional Name: 3-[2-(ethynylamino)-6-methyl-pyrimidin-4-yl]-4-keto-1-methyl-quinolin-2-olate Formula: C17H13N4O2- MolecularWeight: 305.31072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=C(N(C3=CC=CC=C3C2=O)C)[O-])NC#C

Isomeric SMILES

CC1=NC(=NC(=C1)C2=C(N(C3=CC=CC=C3C2=O)C)[O-])NC#C

InChI

InChI=1S/C17H14N4O2/c1-4-18-17-19-10(2)9-12(20-17)14-15(22)11-7-5-6-8-13(11)21(3)16(14)23/h1,5-9,23H,2-3H3,(H,18,19,20)/p-1