2-(3-imidazol-1-ylpropylamino)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one

Systemtic Name: 2-(3-imidazol-1-ylpropylamino)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one Openeye Name: 2-(3-imidazol-1-ylpropylamino)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one CAS Name: 2-[3-(1-imidazolyl)propylamino]-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one IUPAC Name: 2-(3-imidazol-1-ylpropylamino)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one Traditional Name: 2-(3-imidazol-1-ylpropylamino)-9,10-dimethoxy-6,7-dihydropyrimid[6,1-a]isoquinolin-4-one Formula: C20H23N5O3 MolecularWeight: 381.42832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CCN3C2=CC(=NC3=O)NCCCN4C=CN=C4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CCN3C2=CC(=NC3=O)NCCCN4C=CN=C4)OC

InChI

InChI=1S/C20H23N5O3/c1-27-17-10-14-4-8-25-16(15(14)11-18(17)28-2)12-19(23-20(25)26)22-5-3-7-24-9-6-21-13-24/h6,9-13H,3-5,7-8H2,1-2H3,(H,22,23,26)