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7-[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]ethyl]-1,3-dimethyl-purine-2,6-dione

7-[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]ethyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name:7-[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]ethyl]-1,3-dimethyl-purine-2,6-dione
Openeye Name:7-[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]ethyl]-1,3-dimethyl-purine-2,6-dione
CAS Name:7-[2-[(6-ethoxy-1H-benzimidazol-2-yl)thio]ethyl]-1,3-dimethylpurine-2,6-dione
IUPAC Name:7-[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]ethyl]-1,3-dimethylpurine-2,6-dione
Traditional Name:7-[2-[(6-ethoxy-1H-benzimidazol-2-yl)thio]ethyl]-1,3-dimethyl-xanthine
Formula: C18H20N6O3S
MolecularWeight: 400.4548
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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N2)SCCN3C=NC4=C3C(=O)N(C(=O)N4C)C


Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N2)SCCN3C=NC4=C3C(=O)N(C(=O)N4C)C


InChI

InChI=1S/C18H20N6O3S/c1-4-27-11-5-6-12-13(9-11)21-17(20-12)28-8-7-24-10-19-15-14(24)16(25)23(3)18(26)22(15)2/h5-6,9-10H,4,7-8H2,1-3H3,(H,20,21)


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