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

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

Systemtic Name:7-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-3-methyl-8-morpholin-4-yl-purine-2,6-dione
Openeye Name:7-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-3-methyl-8-morpholino-purine-2,6-dione
CAS Name:7-[2-(1H-benzimidazol-2-ylthio)ethyl]-3-methyl-8-(4-morpholinyl)purine-2,6-dione
IUPAC Name:7-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-3-methyl-8-morpholin-4-ylpurine-2,6-dione
Traditional Name:7-[2-(1H-benzimidazol-2-ylthio)ethyl]-3-methyl-8-morpholino-xanthine
Formula: C19H21N7O3S
MolecularWeight: 427.48014
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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCOCC3)CCSC4=NC5=CC=CC=C5N4


Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCOCC3)CCSC4=NC5=CC=CC=C5N4


InChI

InChI=1S/C19H21N7O3S/c1-24-15-14(16(27)23-19(24)28)26(18(22-15)25-6-9-29-10-7-25)8-11-30-17-20-12-4-2-3-5-13(12)21-17/h2-5H,6-11H2,1H3,(H,20,21)(H,23,27,28)


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