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

Systemtic Name: 8-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1-ethyl-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-ethyl-8-(2-indolin-1-yl-2-oxo-ethyl)sulfanyl-3,7-dimethyl-purine-2,6-dione CAS Name: 8-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thio]-1-ethyl-3,7-dimethylpurine-2,6-dione IUPAC Name: 8-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1-ethyl-3,7-dimethylpurine-2,6-dione Traditional Name: 1-ethyl-8-[(2-indolin-1-yl-2-keto-ethyl)thio]-3,7-dimethyl-xanthine Formula: C19H21N5O3S MolecularWeight: 399.46674

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C(N2C)SCC(=O)N3CCC4=CC=CC=C43)N(C1=O)C

Isomeric SMILES

CCN1C(=O)C2=C(N=C(N2C)SCC(=O)N3CCC4=CC=CC=C43)N(C1=O)C

InChI

InChI=1S/C19H21N5O3S/c1-4-23-17(26)15-16(22(3)19(23)27)20-18(21(15)2)28-11-14(25)24-10-9-12-7-5-6-8-13(12)24/h5-8H,4,9-11H2,1-3H3