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

Systemtic Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1-morpholin-4-yl-1-oxidanylidene-butan-2-yl)sulfanyl-quinazolin-4-one Openeye Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-(morpholine-4-carbonyl)propylsulfanyl]quinazolin-4-one CAS Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[1-(4-morpholinyl)-1-oxobutan-2-yl]thio]-4-quinazolinone IUPAC Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1-morpholin-4-yl-1-oxobutan-2-yl)sulfanylquinazolin-4-one Traditional Name: 3-homoveratryl-2-[1-(morpholine-4-carbonyl)propylthio]quinazolin-4-one Formula: C26H31N3O5S MolecularWeight: 497.60644

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCOCC1)SC2=NC3=CC=CC=C3C(=O)N2CCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCC(C(=O)N1CCOCC1)SC2=NC3=CC=CC=C3C(=O)N2CCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C26H31N3O5S/c1-4-23(25(31)28-13-15-34-16-14-28)35-26-27-20-8-6-5-7-19(20)24(30)29(26)12-11-18-9-10-21(32-2)22(17-18)33-3/h5-10,17,23H,4,11-16H2,1-3H3