2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-7-chloranyl-3-(3-methoxypropyl)quinazolin-4-one

Systemtic Name: 2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-7-chloranyl-3-(3-methoxypropyl)quinazolin-4-one Openeye Name: 2-[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-7-chloro-3-(3-methoxypropyl)quinazolin-4-one CAS Name: 2-[[2-(1-adamantyl)-2-oxoethyl]thio]-7-chloro-3-(3-methoxypropyl)-4-quinazolinone IUPAC Name: 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-7-chloro-3-(3-methoxypropyl)quinazolin-4-one Traditional Name: 2-[[2-(1-adamantyl)-2-keto-ethyl]thio]-7-chloro-3-(3-methoxypropyl)quinazolin-4-one Formula: C24H29ClN2O3S MolecularWeight: 461.01666

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H29ClN2O3S/c1-30-6-2-5-27-22(29)19-4-3-18(25)10-20(19)26-23(27)31-14-21(28)24-11-15-7-16(12-24)9-17(8-15)13-24/h3-4,10,15-17H,2,5-9,11-14H2,1H3