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

Systemtic Name: 8-[(6,7-dimethoxyisoquinolin-4-yl)-piperidin-1-yl-methyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione Openeye Name: 8-[(6,7-dimethoxy-4-isoquinolyl)-(1-piperidyl)methyl]-3-isobutyl-1-methyl-7H-purine-2,6-dione CAS Name: 8-[(6,7-dimethoxy-4-isoquinolinyl)-(1-piperidinyl)methyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione IUPAC Name: 8-[(6,7-dimethoxyisoquinolin-4-yl)-piperidin-1-ylmethyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione Traditional Name: 8-[(6,7-dimethoxy-4-isoquinolyl)-piperidino-methyl]-3-isobutyl-1-methyl-7H-purine-2,6-quinone Formula: C27H34N6O4 MolecularWeight: 506.59666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C(C3=CN=CC4=CC(=C(C=C43)OC)OC)N5CCCCC5

Isomeric SMILES

CC(C)CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C(C3=CN=CC4=CC(=C(C=C43)OC)OC)N5CCCCC5

InChI

InChI=1S/C27H34N6O4/c1-16(2)15-33-25-22(26(34)31(3)27(33)35)29-24(30-25)23(32-9-7-6-8-10-32)19-14-28-13-17-11-20(36-4)21(37-5)12-18(17)19/h11-14,16,23H,6-10,15H2,1-5H3,(H,29,30)