2-[6,7-dimethoxy-3-[(2R)-1-oxidanylbutan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(3,4-dimethylphenyl)ethanamide

Systemtic Name: 2-[6,7-dimethoxy-3-[(2R)-1-oxidanylbutan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(3,4-dimethylphenyl)ethanamide Openeye Name: N-(3,4-dimethylphenyl)-2-[3-[(1R)-1-(hydroxymethyl)propyl]-6,7-dimethoxy-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(3,4-dimethylphenyl)-2-[[3-[(2R)-1-hydroxybutan-2-yl]-6,7-dimethoxy-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(3,4-dimethylphenyl)-2-[3-[(2R)-1-hydroxybutan-2-yl]-6,7-dimethoxy-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(3,4-dimethylphenyl)-2-[[4-keto-6,7-dimethoxy-3-[(1R)-1-methylolpropyl]quinazolin-2-yl]thio]acetamide Formula: C24H29N3O5S MolecularWeight: 471.56916

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)N1C(=O)C2=CC(=C(C=C2N=C1SCC(=O)NC3=CC(=C(C=C3)C)C)OC)OC

Isomeric SMILES

CC[C@H](CO)N1C(=O)C2=CC(=C(C=C2N=C1SCC(=O)NC3=CC(=C(C=C3)C)C)OC)OC

InChI

InChI=1S/C24H29N3O5S/c1-6-17(12-28)27-23(30)18-10-20(31-4)21(32-5)11-19(18)26-24(27)33-13-22(29)25-16-8-7-14(2)15(3)9-16/h7-11,17,28H,6,12-13H2,1-5H3,(H,25,29)/t17-/m1/s1