3-(3-methoxypropyl)-2-methylsulfanyl-4aH-quinazolin-3-ium-4-one

Systemtic Name: 3-(3-methoxypropyl)-2-methylsulfanyl-4aH-quinazolin-3-ium-4-one Openeye Name: 3-(3-methoxypropyl)-2-methylsulfanyl-4aH-quinazolin-3-ium-4-one CAS Name: 3-(3-methoxypropyl)-2-(methylthio)-4aH-quinazolin-3-ium-4-one IUPAC Name: 3-(3-methoxypropyl)-2-methylsulfanyl-4aH-quinazolin-3-ium-4-one Traditional Name: 3-(3-methoxypropyl)-2-(methylthio)-4aH-quinazolin-3-ium-4-one Formula: C13H17N2O2S+ MolecularWeight: 265.35128

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Descriptors Computed from Structure

Canonical SMILES:

COCCC[N+]1=C(N=C2C=CC=CC2C1=O)SC

Isomeric SMILES

COCCC[N+]1=C(N=C2C=CC=CC2C1=O)SC

InChI

InChI=1S/C13H17N2O2S/c1-17-9-5-8-15-12(16)10-6-3-4-7-11(10)14-13(15)18-2/h3-4,6-7,10H,5,8-9H2,1-2H3/q+1