3-(6,6-dimethyloxan-3-yl)-2-methylsulfanyl-4aH-quinazolin-3-ium-4-one

Systemtic Name: 3-(6,6-dimethyloxan-3-yl)-2-methylsulfanyl-4aH-quinazolin-3-ium-4-one Openeye Name: 3-(6,6-dimethyltetrahydropyran-3-yl)-2-methylsulfanyl-4aH-quinazolin-3-ium-4-one CAS Name: 3-(6,6-dimethyl-3-oxanyl)-2-(methylthio)-4aH-quinazolin-3-ium-4-one IUPAC Name: 3-(6,6-dimethyloxan-3-yl)-2-methylsulfanyl-4aH-quinazolin-3-ium-4-one Traditional Name: 3-(6,6-dimethyltetrahydropyran-3-yl)-2-(methylthio)-4aH-quinazolin-3-ium-4-one Formula: C16H21N2O2S+ MolecularWeight: 305.41514

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(CO1)[N+]2=C(N=C3C=CC=CC3C2=O)SC)C

Isomeric SMILES

CC1(CCC(CO1)[N+]2=C(N=C3C=CC=CC3C2=O)SC)C

InChI

InChI=1S/C16H21N2O2S/c1-16(2)9-8-11(10-20-16)18-14(19)12-6-4-5-7-13(12)17-15(18)21-3/h4-7,11-12H,8-10H2,1-3H3/q+1