2-(7H-purin-6-yl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-(7H-purin-6-yl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-(7H-purin-6-yl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-(7H-purin-6-yl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-(7H-purin-6-yl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-(7H-purin-6-yl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C15H13N5O2 MolecularWeight: 295.29602

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C3=NC=NC4=C3NC=N4)C(=O)O

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)C3=NC=NC4=C3NC=N4)C(=O)O

InChI

InChI=1S/C15H13N5O2/c21-15(22)11-5-9-3-1-2-4-10(9)6-20(11)14-12-13(17-7-16-12)18-8-19-14/h1-4,7-8,11H,5-6H2,(H,21,22)(H,16,17,18,19)