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

Systemtic Name: 2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-7-chloranyl-3-(oxolan-2-ylmethyl)quinazolin-4-one Openeye Name: 2-[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-7-chloro-3-(tetrahydrofuran-2-ylmethyl)quinazolin-4-one CAS Name: 2-[[2-(1-adamantyl)-2-oxoethyl]thio]-7-chloro-3-(2-oxolanylmethyl)-4-quinazolinone IUPAC Name: 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-7-chloro-3-(oxolan-2-ylmethyl)quinazolin-4-one Traditional Name: 2-[[2-(1-adamantyl)-2-keto-ethyl]thio]-7-chloro-3-(tetrahydrofurfuryl)quinazolin-4-one Formula: C25H29ClN2O3S MolecularWeight: 473.02736

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CC(OC1)CN2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C25H29ClN2O3S/c26-18-3-4-20-21(9-18)27-24(28(23(20)30)13-19-2-1-5-31-19)32-14-22(29)25-10-15-6-16(11-25)8-17(7-15)12-25/h3-4,9,15-17,19H,1-2,5-8,10-14H2