3-(4-methylpyridin-2-yl)-2-[(3S)-2-oxidanylideneoxolan-3-yl]sulfanyl-1H-quinazolin-3-ium-4-one

Systemtic Name: 3-(4-methylpyridin-2-yl)-2-[(3S)-2-oxidanylideneoxolan-3-yl]sulfanyl-1H-quinazolin-3-ium-4-one Openeye Name: 3-(4-methyl-2-pyridyl)-2-[(3S)-2-oxotetrahydrofuran-3-yl]sulfanyl-1H-quinazolin-3-ium-4-one CAS Name: 3-(4-methyl-2-pyridinyl)-2-[[(3S)-2-oxo-3-oxolanyl]thio]-1H-quinazolin-3-ium-4-one IUPAC Name: 3-(4-methylpyridin-2-yl)-2-[(3S)-2-oxooxolan-3-yl]sulfanyl-1H-quinazolin-3-ium-4-one Traditional Name: 2-[[(3S)-2-ketotetrahydrofuran-3-yl]thio]-3-(4-methyl-2-pyridyl)-1H-quinazolin-3-ium-4-one Formula: C18H16N3O3S+ MolecularWeight: 354.40294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)[N+]2=C(NC3=CC=CC=C3C2=O)SC4CCOC4=O

Isomeric SMILES

CC1=CC(=NC=C1)[N+]2=C(NC3=CC=CC=C3C2=O)S[C@H]4CCOC4=O

InChI

InChI=1S/C18H15N3O3S/c1-11-6-8-19-15(10-11)21-16(22)12-4-2-3-5-13(12)20-18(21)25-14-7-9-24-17(14)23/h2-6,8,10,14H,7,9H2,1H3/p+1/t14-/m0/s1