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

Systemtic Name: 7-[2-(1H-indol-3-yl)-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-(1H-indol-3-yl)-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-(1H-indol-3-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-(1H-indol-3-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-(1H-indol-3-yl)-2-keto-ethyl]-1,3-dimethyl-xanthine Formula: C17H15N5O3 MolecularWeight: 337.3327

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)C3=CNC4=CC=CC=C43

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)C3=CNC4=CC=CC=C43

InChI

InChI=1S/C17H15N5O3/c1-20-15-14(16(24)21(2)17(20)25)22(9-19-15)8-13(23)11-7-18-12-6-4-3-5-10(11)12/h3-7,9,18H,8H2,1-2H3