6,7,8,9,10,11-hexahydro-1H-purino[7,8-a]azepin-5-ium-4-one

Systemtic Name: 6,7,8,9,10,11-hexahydro-1H-purino[7,8-a]azepin-5-ium-4-one Openeye Name: 6,7,8,9,10,11-hexahydro-1H-purino[7,8-a]azepin-5-ium-4-one CAS Name: 6,7,8,9,10,11-hexahydro-1H-purino[7,8-a]azepin-5-ium-4-one IUPAC Name: 6,7,8,9,10,11-hexahydro-1H-purino[7,8-a]azepin-5-ium-4-one Traditional Name: 6,7,8,9,10,11-hexahydro-1H-purin[7,8-a]azepin-5-ium-4-one Formula: C10H13N4O+ MolecularWeight: 205.23642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=[N+](CC1)C3=C(N2)NC=NC3=O

Isomeric SMILES

C1CCC2=[N+](CC1)C3=C(N2)NC=NC3=O

InChI

InChI=1S/C10H12N4O/c15-10-8-9(11-6-12-10)13-7-4-2-1-3-5-14(7)8/h6H,1-5H2,(H,11,12,15)/p+1