5-(3,4-dihydro-2H-pyrrol-5-ylamino)-2-(1H-isoquinolin-2-yl)-6,7-dimethoxy-1H-quinazolin-4-one

Systemtic Name: 5-(3,4-dihydro-2H-pyrrol-5-ylamino)-2-(1H-isoquinolin-2-yl)-6,7-dimethoxy-1H-quinazolin-4-one Openeye Name: 5-(3,4-dihydro-2H-pyrrol-5-ylamino)-2-(1H-isoquinolin-2-yl)-6,7-dimethoxy-1H-quinazolin-4-one CAS Name: 5-(3,4-dihydro-2H-pyrrol-5-ylamino)-2-(1H-isoquinolin-2-yl)-6,7-dimethoxy-1H-quinazolin-4-one IUPAC Name: 5-(3,4-dihydro-2H-pyrrol-5-ylamino)-2-(1H-isoquinolin-2-yl)-6,7-dimethoxy-1H-quinazolin-4-one Traditional Name: 2-(1H-isoquinolin-2-yl)-6,7-dimethoxy-5-(1-pyrrolin-2-ylamino)-1H-quinazolin-4-one Formula: C23H23N5O3 MolecularWeight: 417.46042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(=C1)NC(=NC2=O)N3CC4=CC=CC=C4C=C3)NC5=NCCC5)OC

Isomeric SMILES

COC1=C(C(=C2C(=C1)NC(=NC2=O)N3CC4=CC=CC=C4C=C3)NC5=NCCC5)OC

InChI

InChI=1S/C23H23N5O3/c1-30-17-12-16-19(20(21(17)31-2)26-18-8-5-10-24-18)22(29)27-23(25-16)28-11-9-14-6-3-4-7-15(14)13-28/h3-4,6-7,9,11-12H,5,8,10,13H2,1-2H3,(H,24,26)(H,25,27,29)