1-[3-(2,3-dihydroindol-1-yl)propyl]-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-[3-(2,3-dihydroindol-1-yl)propyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-(3-indolin-1-ylpropyl)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[3-(2,3-dihydroindol-1-yl)propyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[3-(2,3-dihydroindol-1-yl)propyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(3-indolin-1-ylpropyl)-3,7-dimethyl-xanthine Formula: C18H21N5O2 MolecularWeight: 339.39164

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCN3CCC4=CC=CC=C43

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCN3CCC4=CC=CC=C43

InChI

InChI=1S/C18H21N5O2/c1-20-12-19-16-15(20)17(24)23(18(25)21(16)2)10-5-9-22-11-8-13-6-3-4-7-14(13)22/h3-4,6-7,12H,5,8-11H2,1-2H3