8-[2-(1H-indol-3-yl)ethylamino]-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-[2-(1H-indol-3-yl)ethylamino]-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-[2-(1H-indol-3-yl)ethylamino]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[2-(1H-indol-3-yl)ethylamino]-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-[2-(1H-indol-3-yl)ethylamino]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-benzyl-8-[2-(1H-indol-3-yl)ethylamino]-1,3-dimethyl-xanthine Formula: C24H24N6O2 MolecularWeight: 428.48636

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCC3=CNC4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCC3=CNC4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C24H24N6O2/c1-28-21-20(22(31)29(2)24(28)32)30(15-16-8-4-3-5-9-16)23(27-21)25-13-12-17-14-26-19-11-7-6-10-18(17)19/h3-11,14,26H,12-13,15H2,1-2H3,(H,25,27)