7-[3-(4-chlorophenyl)sulfanylpropyl]-8-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-purine-2,6-dione

Systemtic Name: 7-[3-(4-chlorophenyl)sulfanylpropyl]-8-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-purine-2,6-dione Openeye Name: 7-[3-(4-chlorophenyl)sulfanylpropyl]-8-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-purine-2,6-dione CAS Name: 7-[3-[(4-chlorophenyl)thio]propyl]-8-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylpurine-2,6-dione IUPAC Name: 7-[3-(4-chlorophenyl)sulfanylpropyl]-8-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylpurine-2,6-dione Traditional Name: 7-[3-[(4-chlorophenyl)thio]propyl]-8-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-xanthine Formula: C24H24ClN5O2S MolecularWeight: 481.99766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCC4=CC=CC=C4C3)CCCSC5=CC=C(C=C5)Cl

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCC4=CC=CC=C4C3)CCCSC5=CC=C(C=C5)Cl

InChI

InChI=1S/C24H24ClN5O2S/c1-28-21-20(22(31)27-24(28)32)30(12-4-14-33-19-9-7-18(25)8-10-19)23(26-21)29-13-11-16-5-2-3-6-17(16)15-29/h2-3,5-10H,4,11-15H2,1H3,(H,27,31,32)