3-[(E)-2-[6,7-dimethoxy-4-(3-oxidanylpropylamino)quinazolin-2-yl]ethenyl]phenol

Systemtic Name: 3-[(E)-2-[6,7-dimethoxy-4-(3-oxidanylpropylamino)quinazolin-2-yl]ethenyl]phenol Openeye Name: 3-[(E)-2-[4-(3-hydroxypropylamino)-6,7-dimethoxy-quinazolin-2-yl]vinyl]phenol CAS Name: 3-[(E)-2-[4-(3-hydroxypropylamino)-6,7-dimethoxy-2-quinazolinyl]ethenyl]phenol IUPAC Name: 3-[(E)-2-[4-(3-hydroxypropylamino)-6,7-dimethoxyquinazolin-2-yl]ethenyl]phenol Traditional Name: 3-[(E)-2-[4-(3-hydroxypropylamino)-6,7-dimethoxy-quinazolin-2-yl]vinyl]phenol Formula: C21H23N3O4 MolecularWeight: 381.42502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)C=CC3=CC(=CC=C3)O)NCCCO)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)/C=C/C3=CC(=CC=C3)O)NCCCO)OC

InChI

InChI=1S/C21H23N3O4/c1-27-18-12-16-17(13-19(18)28-2)23-20(24-21(16)22-9-4-10-25)8-7-14-5-3-6-15(26)11-14/h3,5-8,11-13,25-26H,4,9-10H2,1-2H3,(H,22,23,24)/b8-7+