4-azanyl-6-butyl-5-oxidanidyl-pyrrolo[3,2-d]pyrimidin-5-ium-7-one

Systemtic Name: 4-azanyl-6-butyl-5-oxidanidyl-pyrrolo[3,2-d]pyrimidin-5-ium-7-one Openeye Name: 4-amino-6-butyl-5-oxido-pyrrolo[3,2-d]pyrimidin-5-ium-7-one CAS Name: 4-amino-6-butyl-5-oxido-7-pyrrolo[3,2-d]pyrimidin-5-iumone IUPAC Name: 4-amino-6-butyl-5-oxidopyrrolo[3,2-d]pyrimidin-5-ium-7-one Traditional Name: 4-amino-6-butyl-5-oxido-pyrrolo[3,2-d]pyrimidin-5-ium-7-one Formula: C10H12N4O2 MolecularWeight: 220.22788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=[N+](C2=C(C1=O)N=CN=C2N)[O-]

Isomeric SMILES

CCCCC1=[N+](C2=C(C1=O)N=CN=C2N)[O-]

InChI

InChI=1S/C10H12N4O2/c1-2-3-4-6-9(15)7-8(14(6)16)10(11)13-5-12-7/h5H,2-4H2,1H3,(H2,11,12,13)