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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1NC=C2C(=O)C(C3=CC=CC=C3)N4C=NC5=C4C(=O)N(C(=O)N5C)C

Isomeric SMILES

CCC1=CC=CC2=C1NC=C2C(=O)[C@H](C3=CC=CC=C3)N4C=NC5=C4C(=O)N(C(=O)N5C)C

InChI

InChI=1S/C25H23N5O3/c1-4-15-11-8-12-17-18(13-26-19(15)17)22(31)20(16-9-6-5-7-10-16)30-14-27-23-21(30)24(32)29(3)25(33)28(23)2/h5-14,20,26H,4H2,1-3H3/t20-/m0/s1