2-(1,3-benzoxazol-2-ylmethylsulfanyl)-3-[(3,4-dimethoxyphenyl)methyl]quinazolin-4-one

Systemtic Name: 2-(1,3-benzoxazol-2-ylmethylsulfanyl)-3-[(3,4-dimethoxyphenyl)methyl]quinazolin-4-one Openeye Name: 2-(1,3-benzoxazol-2-ylmethylsulfanyl)-3-[(3,4-dimethoxyphenyl)methyl]quinazolin-4-one CAS Name: 2-(1,3-benzoxazol-2-ylmethylthio)-3-[(3,4-dimethoxyphenyl)methyl]-4-quinazolinone IUPAC Name: 2-(1,3-benzoxazol-2-ylmethylsulfanyl)-3-[(3,4-dimethoxyphenyl)methyl]quinazolin-4-one Traditional Name: 2-(1,3-benzoxazol-2-ylmethylthio)-3-veratryl-quinazolin-4-one Formula: C25H21N3O4S MolecularWeight: 459.51694

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC4=NC5=CC=CC=C5O4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC4=NC5=CC=CC=C5O4)OC

InChI

InChI=1S/C25H21N3O4S/c1-30-21-12-11-16(13-22(21)31-2)14-28-24(29)17-7-3-4-8-18(17)27-25(28)33-15-23-26-19-9-5-6-10-20(19)32-23/h3-13H,14-15H2,1-2H3