2-[1-(1-adamantyl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-(5-methylpyridin-2-yl)quinazolin-4-one

Systemtic Name: 2-[1-(1-adamantyl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-(5-methylpyridin-2-yl)quinazolin-4-one Openeye Name: 2-[2-(1-adamantyl)-1-methyl-2-oxo-ethyl]sulfanyl-3-(5-methyl-2-pyridyl)quinazolin-4-one CAS Name: 2-[[1-(1-adamantyl)-1-oxopropan-2-yl]thio]-3-(5-methyl-2-pyridinyl)-4-quinazolinone IUPAC Name: 2-[1-(1-adamantyl)-1-oxopropan-2-yl]sulfanyl-3-(5-methylpyridin-2-yl)quinazolin-4-one Traditional Name: 2-[[2-(1-adamantyl)-2-keto-1-methyl-ethyl]thio]-3-(5-methyl-2-pyridyl)quinazolin-4-one Formula: C27H29N3O2S MolecularWeight: 459.60306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CN=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H29N3O2S/c1-16-7-8-23(28-15-16)30-25(32)21-5-3-4-6-22(21)29-26(30)33-17(2)24(31)27-12-18-9-19(13-27)11-20(10-18)14-27/h3-8,15,17-20H,9-14H2,1-2H3