8-[chloranyl-(6,7-dimethoxyisoquinolin-4-yl)methyl]-7-methyl-3-(2-methylpropyl)purine-2,6-dione

Systemtic Name: 8-[chloranyl-(6,7-dimethoxyisoquinolin-4-yl)methyl]-7-methyl-3-(2-methylpropyl)purine-2,6-dione Openeye Name: 8-[chloro-(6,7-dimethoxy-4-isoquinolyl)methyl]-3-isobutyl-7-methyl-purine-2,6-dione CAS Name: 8-[chloro-(6,7-dimethoxy-4-isoquinolinyl)methyl]-7-methyl-3-(2-methylpropyl)purine-2,6-dione IUPAC Name: 8-[chloro-(6,7-dimethoxyisoquinolin-4-yl)methyl]-7-methyl-3-(2-methylpropyl)purine-2,6-dione Traditional Name: 8-[chloro-(6,7-dimethoxy-4-isoquinolyl)methyl]-3-isobutyl-7-methyl-xanthine Formula: C22H24ClN5O4 MolecularWeight: 457.91006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)NC1=O)N(C(=N2)C(C3=CN=CC4=CC(=C(C=C43)OC)OC)Cl)C

Isomeric SMILES

CC(C)CN1C2=C(C(=O)NC1=O)N(C(=N2)C(C3=CN=CC4=CC(=C(C=C43)OC)OC)Cl)C

InChI

InChI=1S/C22H24ClN5O4/c1-11(2)10-28-20-18(21(29)26-22(28)30)27(3)19(25-20)17(23)14-9-24-8-12-6-15(31-4)16(32-5)7-13(12)14/h6-9,11,17H,10H2,1-5H3,(H,26,29,30)