1-methyl-3-(2-methylpropyl)-8-[(7-oxidanylisoquinolin-4-yl)methyl]-7H-purine-2,6-dione

Systemtic Name: 1-methyl-3-(2-methylpropyl)-8-[(7-oxidanylisoquinolin-4-yl)methyl]-7H-purine-2,6-dione Openeye Name: 8-[(7-hydroxy-4-isoquinolyl)methyl]-3-isobutyl-1-methyl-7H-purine-2,6-dione CAS Name: 8-[(7-hydroxy-4-isoquinolinyl)methyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione IUPAC Name: 8-[(7-hydroxyisoquinolin-4-yl)methyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione Traditional Name: 8-[(7-hydroxy-4-isoquinolyl)methyl]-3-isobutyl-1-methyl-7H-purine-2,6-quinone Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CC3=C4C=CC(=CC4=CN=C3)O

Isomeric SMILES

CC(C)CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CC3=C4C=CC(=CC4=CN=C3)O

InChI

InChI=1S/C20H21N5O3/c1-11(2)10-25-18-17(19(27)24(3)20(25)28)22-16(23-18)7-13-9-21-8-12-6-14(26)4-5-15(12)13/h4-6,8-9,11,26H,7,10H2,1-3H3,(H,22,23)