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

Systemtic Name: 7-[3-[2-(5-oxidanyl-1H-indol-3-yl)ethylamino]propyl]-3H-purine-2,6-dione Openeye Name: 7-[3-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]propyl]-3H-purine-2,6-dione CAS Name: 7-[3-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]propyl]-3H-purine-2,6-dione IUPAC Name: 7-[3-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]propyl]-3H-purine-2,6-dione Traditional Name: 7-[3-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]propyl]xanthine Formula: C18H20N6O3 MolecularWeight: 368.3898

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1O)C(=CN2)CCNCCCN3C=NC4=C3C(=O)NC(=O)N4

Isomeric SMILES

C1=CC2=C(C=C1O)C(=CN2)CCNCCCN3C=NC4=C3C(=O)NC(=O)N4

InChI

InChI=1S/C18H20N6O3/c25-12-2-3-14-13(8-12)11(9-20-14)4-6-19-5-1-7-24-10-21-16-15(24)17(26)23-18(27)22-16/h2-3,8-10,19-20,25H,1,4-7H2,(H2,22,23,26,27)