3-[2-(ethynylamino)-6-methyl-pyrimidin-4-yl]-1-methyl-2-oxidanyl-3H-quinolin-1-ium-4-one

Systemtic Name: 3-[2-(ethynylamino)-6-methyl-pyrimidin-4-yl]-1-methyl-2-oxidanyl-3H-quinolin-1-ium-4-one Openeye Name: 3-[2-(ethynylamino)-6-methyl-pyrimidin-4-yl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one CAS Name: 3-[2-(ethynylamino)-6-methyl-4-pyrimidinyl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one IUPAC Name: 3-[2-(ethynylamino)-6-methylpyrimidin-4-yl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one Traditional Name: 3-[2-(ethynylamino)-6-methyl-pyrimidin-4-yl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one Formula: C17H15N4O2+ MolecularWeight: 307.3266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2C(=O)C3=CC=CC=C3[N+](=C2O)C)NC#C

Isomeric SMILES

CC1=NC(=NC(=C1)C2C(=O)C3=CC=CC=C3[N+](=C2O)C)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/h1,5-9,14H,2-3H3,(H,18,19,20)/p+1