7-(3-carbazol-9-yl-2-oxidanyl-propyl)-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-(3-carbazol-9-yl-2-oxidanyl-propyl)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-(3-carbazol-9-yl-2-hydroxy-propyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[3-(9-carbazolyl)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-(3-carbazol-9-yl-2-hydroxypropyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(3-carbazol-9-yl-2-hydroxy-propyl)-1,3-dimethyl-xanthine Formula: C22H21N5O3 MolecularWeight: 403.43384

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN3C4=CC=CC=C4C5=CC=CC=C53)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN3C4=CC=CC=C4C5=CC=CC=C53)O

InChI

InChI=1S/C22H21N5O3/c1-24-20-19(21(29)25(2)22(24)30)26(13-23-20)11-14(28)12-27-17-9-5-3-7-15(17)16-8-4-6-10-18(16)27/h3-10,13-14,28H,11-12H2,1-2H3