3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxidanylidene-N-(oxolan-2-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxidanylidene-N-(oxolan-2-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-N-(tetrahydrofuran-2-ylmethyl)-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-N-(2-oxolanylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-N-(oxolan-2-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-homoveratryl-4-keto-N-(tetrahydrofurfuryl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C24H27N3O5S MolecularWeight: 469.55328

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C(=O)C3=C(C=C(C=C3)C(=O)NCC4CCCO4)NC2=S)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C(=O)C3=C(C=C(C=C3)C(=O)NCC4CCCO4)NC2=S)OC

InChI

InChI=1S/C24H27N3O5S/c1-30-20-8-5-15(12-21(20)31-2)9-10-27-23(29)18-7-6-16(13-19(18)26-24(27)33)22(28)25-14-17-4-3-11-32-17/h5-8,12-13,17H,3-4,9-11,14H2,1-2H3,(H,25,28)(H,26,33)