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

Systemtic Name: 3-(cyclopropylmethyl)-8-[(6-methoxyisoquinolin-4-yl)methyl]-1-methyl-7H-purine-2,6-dione Openeye Name: 3-(cyclopropylmethyl)-8-[(6-methoxy-4-isoquinolyl)methyl]-1-methyl-7H-purine-2,6-dione CAS Name: 3-(cyclopropylmethyl)-8-[(6-methoxy-4-isoquinolinyl)methyl]-1-methyl-7H-purine-2,6-dione IUPAC Name: 3-(cyclopropylmethyl)-8-[(6-methoxyisoquinolin-4-yl)methyl]-1-methyl-7H-purine-2,6-dione Traditional Name: 3-(cyclopropylmethyl)-8-[(6-methoxy-4-isoquinolyl)methyl]-1-methyl-7H-purine-2,6-quinone Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C(N2)CC3=C4C=C(C=CC4=CN=C3)OC)N(C1=O)CC5CC5

Isomeric SMILES

CN1C(=O)C2=C(N=C(N2)CC3=C4C=C(C=CC4=CN=C3)OC)N(C1=O)CC5CC5

InChI

InChI=1S/C21H21N5O3/c1-25-20(27)18-19(26(21(25)28)11-12-3-4-12)24-17(23-18)7-14-10-22-9-13-5-6-15(29-2)8-16(13)14/h5-6,8-10,12H,3-4,7,11H2,1-2H3,(H,23,24)