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

Systemtic Name: 7-[2-(1-ethyl-2-phenyl-indol-3-yl)-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-(1-ethyl-2-phenyl-indol-3-yl)-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-(1-ethyl-2-phenyl-3-indolyl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-(1-ethyl-2-phenyl-indol-3-yl)-2-keto-ethyl]-1,3-dimethyl-xanthine Formula: C25H23N5O3 MolecularWeight: 441.48182

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)C(=O)CN4C=NC5=C4C(=O)N(C(=O)N5C)C

Isomeric SMILES

CCN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)C(=O)CN4C=NC5=C4C(=O)N(C(=O)N5C)C

InChI

InChI=1S/C25H23N5O3/c1-4-30-18-13-9-8-12-17(18)20(21(30)16-10-6-5-7-11-16)19(31)14-29-15-26-23-22(29)24(32)28(3)25(33)27(23)2/h5-13,15H,4,14H2,1-3H3