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

Systemtic Name: 1,3-dimethyl-7-[2-(1-methyl-2-phenyl-indol-3-yl)-2-oxidanylidene-ethyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-(1-methyl-2-phenyl-indol-3-yl)-2-oxo-ethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-(1-methyl-2-phenyl-3-indolyl)-2-oxoethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl]purine-2,6-dione Traditional Name: 7-[2-keto-2-(1-methyl-2-phenyl-indol-3-yl)ethyl]-1,3-dimethyl-xanthine Formula: C24H21N5O3 MolecularWeight: 427.45524

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)C(=O)CN4C=NC5=C4C(=O)N(C(=O)N5C)C

Isomeric SMILES

CN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)C(=O)CN4C=NC5=C4C(=O)N(C(=O)N5C)C

InChI

InChI=1S/C24H21N5O3/c1-26-17-12-8-7-11-16(17)19(20(26)15-9-5-4-6-10-15)18(30)13-29-14-25-22-21(29)23(31)28(3)24(32)27(22)2/h4-12,14H,13H2,1-3H3