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

Systemtic Name: 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-8-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-purine-2,6-dione Openeye Name: 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-8-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-purine-2,6-dione CAS Name: 7-[2-(1,3-benzothiazol-2-ylthio)ethyl]-8-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylpurine-2,6-dione IUPAC Name: 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-8-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylpurine-2,6-dione Traditional Name: 7-[2-(1,3-benzothiazol-2-ylthio)ethyl]-8-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-xanthine Formula: C24H22N6O2S2 MolecularWeight: 490.60048

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCC4=CC=CC=C4C3)CCSC5=NC6=CC=CC=C6S5

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCC4=CC=CC=C4C3)CCSC5=NC6=CC=CC=C6S5

InChI

InChI=1S/C24H22N6O2S2/c1-28-20-19(21(31)27-23(28)32)30(12-13-33-24-25-17-8-4-5-9-18(17)34-24)22(26-20)29-11-10-15-6-2-3-7-16(15)14-29/h2-9H,10-14H2,1H3,(H,27,31,32)