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

Systemtic Name: 8-[(6-methoxyisoquinolin-4-yl)methyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione Openeye Name: 3-isobutyl-8-[(6-methoxy-4-isoquinolyl)methyl]-1-methyl-7H-purine-2,6-dione CAS Name: 8-[(6-methoxy-4-isoquinolinyl)methyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione IUPAC Name: 8-[(6-methoxyisoquinolin-4-yl)methyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione Traditional Name: 3-isobutyl-8-[(6-methoxy-4-isoquinolyl)methyl]-1-methyl-7H-purine-2,6-quinone Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O3/c1-12(2)11-26-19-18(20(27)25(3)21(26)28)23-17(24-19)7-14-10-22-9-13-5-6-15(29-4)8-16(13)14/h5-6,8-10,12H,7,11H2,1-4H3,(H,23,24)