3-[2-[3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)propanoylamino]ethyl]-5-oxidanyl-indole-1-carboxylic acid

Systemtic Name: 3-[2-[3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)propanoylamino]ethyl]-5-oxidanyl-indole-1-carboxylic acid Openeye Name: 3-[2-[3-(2-amino-6-oxo-3H-purin-9-yl)propanoylamino]ethyl]-5-hydroxy-indole-1-carboxylic acid CAS Name: 3-[2-[[3-(2-amino-6-oxo-3H-purin-9-yl)-1-oxopropyl]amino]ethyl]-5-hydroxy-1-indolecarboxylic acid IUPAC Name: 3-[2-[3-(2-amino-6-oxo-3H-purin-9-yl)propanoylamino]ethyl]-5-hydroxyindole-1-carboxylic acid Traditional Name: 3-[2-[3-(2-amino-6-keto-3H-purin-9-yl)propanoylamino]ethyl]-5-hydroxy-indole-1-carboxylic acid Formula: C19H19N7O5 MolecularWeight: 425.39806

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1O)C(=CN2C(=O)O)CCNC(=O)CCN3C=NC4=C3NC(=NC4=O)N

Isomeric SMILES

C1=CC2=C(C=C1O)C(=CN2C(=O)O)CCNC(=O)CCN3C=NC4=C3NC(=NC4=O)N

InChI

InChI=1S/C19H19N7O5/c20-18-23-16-15(17(29)24-18)22-9-25(16)6-4-14(28)21-5-3-10-8-26(19(30)31)13-2-1-11(27)7-12(10)13/h1-2,7-9,27H,3-6H2,(H,21,28)(H,30,31)(H3,20,23,24,29)