7-[3-[3-(2-azanylethyl)-5-oxidanyl-1H-indol-2-yl]propyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[3-[3-(2-azanylethyl)-5-oxidanyl-1H-indol-2-yl]propyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[3-[3-(2-aminoethyl)-5-hydroxy-1H-indol-2-yl]propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[3-[3-(2-aminoethyl)-5-hydroxy-1H-indol-2-yl]propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[3-[3-(2-aminoethyl)-5-hydroxy-1H-indol-2-yl]propyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[3-[3-(2-aminoethyl)-5-hydroxy-1H-indol-2-yl]propyl]-1,3-dimethyl-xanthine Formula: C20H24N6O3 MolecularWeight: 396.44296

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC3=C(C4=C(N3)C=CC(=C4)O)CCN

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC3=C(C4=C(N3)C=CC(=C4)O)CCN

InChI

InChI=1S/C20H24N6O3/c1-24-18-17(19(28)25(2)20(24)29)26(11-22-18)9-3-4-15-13(7-8-21)14-10-12(27)5-6-16(14)23-15/h5-6,10-11,23,27H,3-4,7-9,21H2,1-2H3