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

Systemtic Name: 8-[(6,7-dimethoxyisoquinolin-4-yl)methyl]-1-methyl-3-prop-2-enyl-7H-purine-2,6-dione Openeye Name: 3-allyl-8-[(6,7-dimethoxy-4-isoquinolyl)methyl]-1-methyl-7H-purine-2,6-dione CAS Name: 8-[(6,7-dimethoxy-4-isoquinolinyl)methyl]-1-methyl-3-prop-2-enyl-7H-purine-2,6-dione IUPAC Name: 8-[(6,7-dimethoxyisoquinolin-4-yl)methyl]-1-methyl-3-prop-2-enyl-7H-purine-2,6-dione Traditional Name: 3-allyl-8-[(6,7-dimethoxy-4-isoquinolyl)methyl]-1-methyl-7H-purine-2,6-quinone Formula: C21H21N5O4 MolecularWeight: 407.42254

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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)CC=C

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O4/c1-5-6-26-19-18(20(27)25(2)21(26)28)23-17(24-19)8-13-11-22-10-12-7-15(29-3)16(30-4)9-14(12)13/h5,7,9-11H,1,6,8H2,2-4H3,(H,23,24)