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

Systemtic Name: 8-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-dimethyl-7-(2-phenylsulfanylethyl)purine-2,6-dione Openeye Name: 8-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-dimethyl-7-(2-phenylsulfanylethyl)purine-2,6-dione CAS Name: 8-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-dimethyl-7-[2-(phenylthio)ethyl]purine-2,6-dione IUPAC Name: 8-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-dimethyl-7-(2-phenylsulfanylethyl)purine-2,6-dione Traditional Name: 8-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-dimethyl-7-[2-(phenylthio)ethyl]xanthine Formula: C24H25N5O2S MolecularWeight: 447.5526

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCC4=CC=CC=C4C3)CCSC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCC4=CC=CC=C4C3)CCSC5=CC=CC=C5

InChI

InChI=1S/C24H25N5O2S/c1-26-21-20(22(30)27(2)24(26)31)29(14-15-32-19-10-4-3-5-11-19)23(25-21)28-13-12-17-8-6-7-9-18(17)16-28/h3-11H,12-16H2,1-2H3