9-tert-butyl-7-[[1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]purin-8-one

Systemtic Name: 9-tert-butyl-7-[[1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]purin-8-one Openeye Name: 9-tert-butyl-7-[[1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]purin-8-one CAS Name: 9-tert-butyl-7-[[1-(3-methylsulfonylpropyl)-2-benzimidazolyl]methyl]-8-purinone IUPAC Name: 9-tert-butyl-7-[[1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]purin-8-one Traditional Name: 9-tert-butyl-7-[[1-(3-mesylpropyl)benzimidazol-2-yl]methyl]purin-8-one Formula: C21H26N6O3S MolecularWeight: 442.53454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C2=NC=NC=C2N(C1=O)CC3=NC4=CC=CC=C4N3CCCS(=O)(=O)C

Isomeric SMILES

CC(C)(C)N1C2=NC=NC=C2N(C1=O)CC3=NC4=CC=CC=C4N3CCCS(=O)(=O)C

InChI

InChI=1S/C21H26N6O3S/c1-21(2,3)27-19-17(12-22-14-23-19)26(20(27)28)13-18-24-15-8-5-6-9-16(15)25(18)10-7-11-31(4,29)30/h5-6,8-9,12,14H,7,10-11,13H2,1-4H3