7-butyl-8-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-butyl-8-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-butyl-8-(2-indolin-1-yl-2-oxo-ethyl)sulfanyl-1,3-dimethyl-purine-2,6-dione CAS Name: 7-butyl-8-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thio]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-butyl-8-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,3-dimethylpurine-2,6-dione Traditional Name: 7-butyl-8-[(2-indolin-1-yl-2-keto-ethyl)thio]-1,3-dimethyl-xanthine Formula: C21H25N5O3S MolecularWeight: 427.5199

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1SCC(=O)N3CCC4=CC=CC=C43)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCN1C2=C(N=C1SCC(=O)N3CCC4=CC=CC=C43)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C21H25N5O3S/c1-4-5-11-26-17-18(23(2)21(29)24(3)19(17)28)22-20(26)30-13-16(27)25-12-10-14-8-6-7-9-15(14)25/h6-9H,4-5,10-13H2,1-3H3