1,3-dimethyl-7-[3-[[3-[(2-methyl-1H-indol-4-yl)oxy]-2-oxidanyl-propyl]amino]butyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[3-[[3-[(2-methyl-1H-indol-4-yl)oxy]-2-oxidanyl-propyl]amino]butyl]purine-2,6-dione Openeye Name: 7-[3-[[2-hydroxy-3-[(2-methyl-1H-indol-4-yl)oxy]propyl]amino]butyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[3-[[2-hydroxy-3-[(2-methyl-1H-indol-4-yl)oxy]propyl]amino]butyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[3-[[2-hydroxy-3-[(2-methyl-1H-indol-4-yl)oxy]propyl]amino]butyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[3-[[2-hydroxy-3-[(2-methyl-1H-indol-4-yl)oxy]propyl]amino]butyl]-1,3-dimethyl-xanthine Formula: C23H30N6O4 MolecularWeight: 454.5221

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(N1)C=CC=C2OCC(CNC(C)CCN3C=NC4=C3C(=O)N(C(=O)N4C)C)O

Isomeric SMILES

CC1=CC2=C(N1)C=CC=C2OCC(CNC(C)CCN3C=NC4=C3C(=O)N(C(=O)N4C)C)O

InChI

InChI=1S/C23H30N6O4/c1-14(8-9-29-13-25-21-20(29)22(31)28(4)23(32)27(21)3)24-11-16(30)12-33-19-7-5-6-18-17(19)10-15(2)26-18/h5-7,10,13-14,16,24,26,30H,8-9,11-12H2,1-4H3