8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-dimethyl-7-(3-oxidanylpropyl)purine-2,6-dione

Systemtic Name: 8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-dimethyl-7-(3-oxidanylpropyl)purine-2,6-dione Openeye Name: 8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-7-(3-hydroxypropyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-7-(3-hydroxypropyl)-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-7-(3-hydroxypropyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-7-(3-hydroxypropyl)-1,3-dimethyl-xanthine Formula: C20H25N5O3 MolecularWeight: 383.4442

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCC4=CC=CC=C4C3)CCCO

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCC4=CC=CC=C4C3)CCCO

InChI

InChI=1S/C20H25N5O3/c1-22-18-17(19(27)23(2)20(22)28)25(9-5-11-26)16(21-18)13-24-10-8-14-6-3-4-7-15(14)12-24/h3-4,6-7,26H,5,8-13H2,1-2H3