N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(methylamino)quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(methylamino)quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(methylamino)quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[[4-(methylamino)-2-quinazolinyl]thio]propanamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(methylamino)quinazolin-2-yl]sulfanylpropanamide Traditional Name: 2-[[4-(methylamino)quinazolin-2-yl]thio]-N-veratryl-propionamide Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC(=C(C=C1)OC)OC)SC2=NC3=CC=CC=C3C(=N2)NC

Isomeric SMILES

CC(C(=O)NCC1=CC(=C(C=C1)OC)OC)SC2=NC3=CC=CC=C3C(=N2)NC

InChI

InChI=1S/C21H24N4O3S/c1-13(20(26)23-12-14-9-10-17(27-3)18(11-14)28-4)29-21-24-16-8-6-5-7-15(16)19(22-2)25-21/h5-11,13H,12H2,1-4H3,(H,23,26)(H,22,24,25)