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

Systemtic Name: 8-[(6,7-dimethoxyisoquinolin-4-yl)methyl]-1-methyl-3-(3-oxidanylpropyl)-7H-purine-2,6-dione Openeye Name: 8-[(6,7-dimethoxy-4-isoquinolyl)methyl]-3-(3-hydroxypropyl)-1-methyl-7H-purine-2,6-dione CAS Name: 8-[(6,7-dimethoxy-4-isoquinolinyl)methyl]-3-(3-hydroxypropyl)-1-methyl-7H-purine-2,6-dione IUPAC Name: 8-[(6,7-dimethoxyisoquinolin-4-yl)methyl]-3-(3-hydroxypropyl)-1-methyl-7H-purine-2,6-dione Traditional Name: 8-[(6,7-dimethoxy-4-isoquinolyl)methyl]-3-(3-hydroxypropyl)-1-methyl-7H-purine-2,6-quinone Formula: C21H23N5O5 MolecularWeight: 425.43782

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C(N2)CC3=CN=CC4=CC(=C(C=C43)OC)OC)N(C1=O)CCCO

Isomeric SMILES

CN1C(=O)C2=C(N=C(N2)CC3=CN=CC4=CC(=C(C=C43)OC)OC)N(C1=O)CCCO

InChI

InChI=1S/C21H23N5O5/c1-25-20(28)18-19(26(21(25)29)5-4-6-27)24-17(23-18)8-13-11-22-10-12-7-15(30-2)16(31-3)9-14(12)13/h7,9-11,27H,4-6,8H2,1-3H3,(H,23,24)