2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-3-prop-2-enyl-quinazoline-7-carboxylic acid

Systemtic Name: 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-3-prop-2-enyl-quinazoline-7-carboxylic acid Openeye Name: 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanyl-3-allyl-4-oxo-quinazoline-7-carboxylic acid CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]-4-oxo-3-prop-2-enyl-7-quinazolinecarboxylic acid IUPAC Name: 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-4-oxo-3-prop-2-enylquinazoline-7-carboxylic acid Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]-3-allyl-4-keto-quinazoline-7-carboxylic acid Formula: C24H27N3O4S MolecularWeight: 453.55388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)O)N=C1SCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)O)N=C1SCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H27N3O4S/c1-2-5-27-21(29)18-4-3-17(22(30)31)9-19(18)25-23(27)32-13-20(28)26-24-10-14-6-15(11-24)8-16(7-14)12-24/h2-4,9,14-16H,1,5-8,10-13H2,(H,26,28)(H,30,31)