N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-3-methylsulfanyl-propanamide

Systemtic Name: N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-3-methylsulfanyl-propanamide Openeye Name: N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-3-methylsulfanyl-propanamide CAS Name: N-[4-[(6,7-dimethoxy-4-quinazolinyl)amino]phenyl]-3-(methylthio)propanamide IUPAC Name: N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-3-methylsulfanylpropanamide Traditional Name: N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-3-(methylthio)propionamide Formula: C20H22N4O3S MolecularWeight: 398.47868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)NC(=O)CCSC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)NC(=O)CCSC)OC

InChI

InChI=1S/C20H22N4O3S/c1-26-17-10-15-16(11-18(17)27-2)21-12-22-20(15)24-14-6-4-13(5-7-14)23-19(25)8-9-28-3/h4-7,10-12H,8-9H2,1-3H3,(H,23,25)(H,21,22,24)