7-[(2R)-1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[(2R)-1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(1R)-2-(1H-indol-3-yl)-1-methyl-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(1R)-2-(1H-indol-3-yl)-2-keto-1-methyl-ethyl]-1,3-dimethyl-xanthine Formula: C18H17N5O3 MolecularWeight: 351.35928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CNC2=CC=CC=C21)N3C=NC4=C3C(=O)N(C(=O)N4C)C

Isomeric SMILES

C[C@H](C(=O)C1=CNC2=CC=CC=C21)N3C=NC4=C3C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C18H17N5O3/c1-10(15(24)12-8-19-13-7-5-4-6-11(12)13)23-9-20-16-14(23)17(25)22(3)18(26)21(16)2/h4-10,19H,1-3H3/t10-/m1/s1