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

Systemtic Name: 1,3-dimethyl-7-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[(1S)-1-methyl-2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]purine-2,6-dione Traditional Name: 7-[(1S)-2-keto-1-methyl-2-(2-methyl-1H-indol-3-yl)ethyl]-1,3-dimethyl-xanthine Formula: C19H19N5O3 MolecularWeight: 365.38586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)C(C)N3C=NC4=C3C(=O)N(C(=O)N4C)C

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)[C@H](C)N3C=NC4=C3C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C19H19N5O3/c1-10-14(12-7-5-6-8-13(12)21-10)16(25)11(2)24-9-20-17-15(24)18(26)23(4)19(27)22(17)3/h5-9,11,21H,1-4H3/t11-/m0/s1