2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-3-(pyridin-3-ylmethyl)quinazolin-4-one

Systemtic Name: 2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-3-(pyridin-3-ylmethyl)quinazolin-4-one Openeye Name: 2-[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-3-(3-pyridylmethyl)quinazolin-4-one CAS Name: 2-[[2-(1-adamantyl)-2-oxoethyl]thio]-3-(3-pyridinylmethyl)-4-quinazolinone IUPAC Name: 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-3-(pyridin-3-ylmethyl)quinazolin-4-one Traditional Name: 2-[[2-(1-adamantyl)-2-keto-ethyl]thio]-3-(3-pyridylmethyl)quinazolin-4-one Formula: C26H27N3O2S MolecularWeight: 445.57648

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=NC5=CC=CC=C5C(=O)N4CC6=CN=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=NC5=CC=CC=C5C(=O)N4CC6=CN=CC=C6

InChI

InChI=1S/C26H27N3O2S/c30-23(26-11-18-8-19(12-26)10-20(9-18)13-26)16-32-25-28-22-6-2-1-5-21(22)24(31)29(25)15-17-4-3-7-27-14-17/h1-7,14,18-20H,8-13,15-16H2