(2S)-N-(furan-2-ylmethyl)-2-[[3-(5-methylpyridin-2-yl)-4-oxidanylidene-1H-quinazolin-3-ium-2-yl]sulfanyl]propanamide

Systemtic Name: (2S)-N-(furan-2-ylmethyl)-2-[[3-(5-methylpyridin-2-yl)-4-oxidanylidene-1H-quinazolin-3-ium-2-yl]sulfanyl]propanamide Openeye Name: (2S)-N-(2-furylmethyl)-2-[[3-(5-methyl-2-pyridyl)-4-oxo-1H-quinazolin-3-ium-2-yl]sulfanyl]propanamide CAS Name: (2S)-N-(2-furanylmethyl)-2-[[3-(5-methyl-2-pyridinyl)-4-oxo-1H-quinazolin-3-ium-2-yl]thio]propanamide IUPAC Name: (2S)-N-(furan-2-ylmethyl)-2-[[3-(5-methylpyridin-2-yl)-4-oxo-1H-quinazolin-3-ium-2-yl]sulfanyl]propanamide Traditional Name: (2S)-N-(2-furfuryl)-2-[[4-keto-3-(5-methyl-2-pyridyl)-1H-quinazolin-3-ium-2-yl]thio]propionamide Formula: C22H21N4O3S+ MolecularWeight: 421.49214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)[N+]2=C(NC3=CC=CC=C3C2=O)SC(C)C(=O)NCC4=CC=CO4

Isomeric SMILES

CC1=CN=C(C=C1)[N+]2=C(NC3=CC=CC=C3C2=O)S[C@@H](C)C(=O)NCC4=CC=CO4

InChI

InChI=1S/C22H20N4O3S/c1-14-9-10-19(23-12-14)26-21(28)17-7-3-4-8-18(17)25-22(26)30-15(2)20(27)24-13-16-6-5-11-29-16/h3-12,15H,13H2,1-2H3,(H,24,27)/p+1/t15-/m0/s1