3-(5-methylpyridin-2-yl)-2-[(1S)-2-oxidanylidenecyclohexyl]sulfanyl-1H-quinazolin-3-ium-4-one

Systemtic Name: 3-(5-methylpyridin-2-yl)-2-[(1S)-2-oxidanylidenecyclohexyl]sulfanyl-1H-quinazolin-3-ium-4-one Openeye Name: 3-(5-methyl-2-pyridyl)-2-[(1S)-2-oxocyclohexyl]sulfanyl-1H-quinazolin-3-ium-4-one CAS Name: 3-(5-methyl-2-pyridinyl)-2-[[(1S)-2-oxocyclohexyl]thio]-1H-quinazolin-3-ium-4-one IUPAC Name: 3-(5-methylpyridin-2-yl)-2-[(1S)-2-oxocyclohexyl]sulfanyl-1H-quinazolin-3-ium-4-one Traditional Name: 2-[[(1S)-2-ketocyclohexyl]thio]-3-(5-methyl-2-pyridyl)-1H-quinazolin-3-ium-4-one Formula: C20H20N3O2S+ MolecularWeight: 366.4567

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)[N+]2=C(NC3=CC=CC=C3C2=O)SC4CCCCC4=O

Isomeric SMILES

CC1=CN=C(C=C1)[N+]2=C(NC3=CC=CC=C3C2=O)S[C@H]4CCCCC4=O

InChI

InChI=1S/C20H19N3O2S/c1-13-10-11-18(21-12-13)23-19(25)14-6-2-3-7-15(14)22-20(23)26-17-9-5-4-8-16(17)24/h2-3,6-7,10-12,17H,4-5,8-9H2,1H3/p+1/t17-/m0/s1