1,3-dimethyl-7-[2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylethyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylethyl]purine-2,6-dione Openeye Name: 7-[2-(1-allylbenzimidazol-2-yl)sulfanylethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-[(1-prop-2-enyl-2-benzimidazolyl)thio]ethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylethyl]purine-2,6-dione Traditional Name: 7-[2-[(1-allylbenzimidazol-2-yl)thio]ethyl]-1,3-dimethyl-xanthine Formula: C19H20N6O2S MolecularWeight: 396.4661

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCSC3=NC4=CC=CC=C4N3CC=C

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCSC3=NC4=CC=CC=C4N3CC=C

InChI

InChI=1S/C19H20N6O2S/c1-4-9-25-14-8-6-5-7-13(14)21-18(25)28-11-10-24-12-20-16-15(24)17(26)23(3)19(27)22(16)2/h4-8,12H,1,9-11H2,2-3H3