2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-3-(3,4-dimethoxyphenyl)quinazolin-4-one

Systemtic Name: 2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-3-(3,4-dimethoxyphenyl)quinazolin-4-one Openeye Name: 2-[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-3-(3,4-dimethoxyphenyl)quinazolin-4-one CAS Name: 2-[[2-(1-adamantyl)-2-oxoethyl]thio]-3-(3,4-dimethoxyphenyl)-4-quinazolinone IUPAC Name: 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-3-(3,4-dimethoxyphenyl)quinazolin-4-one Traditional Name: 2-[[2-(1-adamantyl)-2-keto-ethyl]thio]-3-(3,4-dimethoxyphenyl)quinazolin-4-one Formula: C28H30N2O4S MolecularWeight: 490.6138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C45CC6CC(C4)CC(C6)C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C45CC6CC(C4)CC(C6)C5)OC

InChI

InChI=1S/C28H30N2O4S/c1-33-23-8-7-20(12-24(23)34-2)30-26(32)21-5-3-4-6-22(21)29-27(30)35-16-25(31)28-13-17-9-18(14-28)11-19(10-17)15-28/h3-8,12,17-19H,9-11,13-16H2,1-2H3