3,7-dimethyl-1-[3-(1-propan-2-ylbenzimidazol-2-yl)sulfanylpropyl]purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-[3-(1-propan-2-ylbenzimidazol-2-yl)sulfanylpropyl]purine-2,6-dione Openeye Name: 1-[3-(1-isopropylbenzimidazol-2-yl)sulfanylpropyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 3,7-dimethyl-1-[3-[(1-propan-2-yl-2-benzimidazolyl)thio]propyl]purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-[3-(1-propan-2-ylbenzimidazol-2-yl)sulfanylpropyl]purine-2,6-dione Traditional Name: 1-[3-[(1-isopropylbenzimidazol-2-yl)thio]propyl]-3,7-dimethyl-xanthine Formula: C20H24N6O2S MolecularWeight: 412.50856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=CC=CC=C2N=C1SCCCN3C(=O)C4=C(N=CN4C)N(C3=O)C

Isomeric SMILES

CC(C)N1C2=CC=CC=C2N=C1SCCCN3C(=O)C4=C(N=CN4C)N(C3=O)C

InChI

InChI=1S/C20H24N6O2S/c1-13(2)26-15-9-6-5-8-14(15)22-19(26)29-11-7-10-25-18(27)16-17(21-12-23(16)3)24(4)20(25)28/h5-6,8-9,12-13H,7,10-11H2,1-4H3