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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)CN3C=NC4=C3C(=O)N(C(=O)N4C)C

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)CN3C=NC4=C3C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C18H17N5O3/c1-10-14(11-6-4-5-7-12(11)20-10)13(24)8-23-9-19-16-15(23)17(25)22(3)18(26)21(16)2/h4-7,9,20H,8H2,1-3H3