9-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-6,8-dimethyl-2-methylsulfinyl-purine

Systemtic Name: 9-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-6,8-dimethyl-2-methylsulfinyl-purine Openeye Name: 9-[[3-(cyclopentoxy)-4-methoxy-phenyl]methyl]-6,8-dimethyl-2-methylsulfinyl-purine CAS Name: 9-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-6,8-dimethyl-2-methylsulfinylpurine IUPAC Name: 9-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-6,8-dimethyl-2-methylsulfinylpurine Traditional Name: 9-[3-(cyclopentoxy)-4-methoxy-benzyl]-6,8-dimethyl-2-methylsulfinyl-purine Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NC(=N1)S(=O)C)N(C(=N2)C)CC3=CC(=C(C=C3)OC)OC4CCCC4

Isomeric SMILES

CC1=C2C(=NC(=N1)S(=O)C)N(C(=N2)C)CC3=CC(=C(C=C3)OC)OC4CCCC4

InChI

InChI=1S/C21H26N4O3S/c1-13-19-20(24-21(22-13)29(4)26)25(14(2)23-19)12-15-9-10-17(27-3)18(11-15)28-16-7-5-6-8-16/h9-11,16H,5-8,12H2,1-4H3