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

Systemtic Name: 1,3-dimethyl-7-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxidanylidene-ethyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-[(2S)-2-methylindolin-1-yl]-2-oxo-ethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]purine-2,6-dione Traditional Name: 7-[2-keto-2-[(2S)-2-methylindolin-1-yl]ethyl]-1,3-dimethyl-xanthine Formula: C18H19N5O3 MolecularWeight: 353.37516

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C(=O)CN3C=NC4=C3C(=O)N(C(=O)N4C)C

Isomeric SMILES

C[C@H]1CC2=CC=CC=C2N1C(=O)CN3C=NC4=C3C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C18H19N5O3/c1-11-8-12-6-4-5-7-13(12)23(11)14(24)9-22-10-19-16-15(22)17(25)21(3)18(26)20(16)2/h4-7,10-11H,8-9H2,1-3H3/t11-/m0/s1