2-(7H-purin-6-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione

Systemtic Name: 2-(7H-purin-6-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione Openeye Name: 2-(7H-purin-6-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione CAS Name: 2-(7H-purin-6-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione IUPAC Name: 2-(7H-purin-6-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione Traditional Name: 2-(7H-purin-6-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-quinone Formula: C13H13N5O2 MolecularWeight: 271.27462

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)C(=O)N(C2=O)C3=NC=NC4=C3NC=N4

Isomeric SMILES

C1CCC2C(C1)C(=O)N(C2=O)C3=NC=NC4=C3NC=N4

InChI

InChI=1S/C13H13N5O2/c19-12-7-3-1-2-4-8(7)13(20)18(12)11-9-10(15-5-14-9)16-6-17-11/h5-8H,1-4H2,(H,14,15,16,17)