8-(isoquinolin-4-ylmethyl)-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione

Systemtic Name: 8-(isoquinolin-4-ylmethyl)-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione Openeye Name: 3-isobutyl-8-(4-isoquinolylmethyl)-1-methyl-7H-purine-2,6-dione CAS Name: 8-(4-isoquinolinylmethyl)-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione IUPAC Name: 8-(isoquinolin-4-ylmethyl)-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione Traditional Name: 3-isobutyl-8-(4-isoquinolylmethyl)-1-methyl-7H-purine-2,6-quinone Formula: C20H21N5O2 MolecularWeight: 363.41304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CC3=CN=CC4=CC=CC=C43

Isomeric SMILES

CC(C)CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CC3=CN=CC4=CC=CC=C43

InChI

InChI=1S/C20H21N5O2/c1-12(2)11-25-18-17(19(26)24(3)20(25)27)22-16(23-18)8-14-10-21-9-13-6-4-5-7-15(13)14/h4-7,9-10,12H,8,11H2,1-3H3,(H,22,23)