7-[(2R)-1-(1-ethanoyl-2,3-dihydroindol-5-yl)-1-oxidanylidene-propan-2-yl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[(2R)-1-(1-ethanoyl-2,3-dihydroindol-5-yl)-1-oxidanylidene-propan-2-yl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(1R)-2-(1-acetylindolin-5-yl)-1-methyl-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(1R)-2-(1-acetylindolin-5-yl)-2-keto-1-methyl-ethyl]-1,3-dimethyl-xanthine Formula: C20H21N5O4 MolecularWeight: 395.41184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(C=C1)N(CC2)C(=O)C)N3C=NC4=C3C(=O)N(C(=O)N4C)C

Isomeric SMILES

C[C@H](C(=O)C1=CC2=C(C=C1)N(CC2)C(=O)C)N3C=NC4=C3C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C20H21N5O4/c1-11(25-10-21-18-16(25)19(28)23(4)20(29)22(18)3)17(27)14-5-6-15-13(9-14)7-8-24(15)12(2)26/h5-6,9-11H,7-8H2,1-4H3/t11-/m1/s1