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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C(=O)CSC3=NC4=C(N3C)C(=O)N(C(=O)N4C)C

Isomeric SMILES

C[C@H]1CC2=CC=CC=C2N1C(=O)CSC3=NC4=C(N3C)C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C19H21N5O3S/c1-11-9-12-7-5-6-8-13(12)24(11)14(25)10-28-18-20-16-15(21(18)2)17(26)23(4)19(27)22(16)3/h5-8,11H,9-10H2,1-4H3/t11-/m0/s1