(6S,7R)-2-azanyl-6,7-dimethyl-5,6,7,8-tetrahydro-1H-pteridine-3,5-diium-4-one

Systemtic Name: (6S,7R)-2-azanyl-6,7-dimethyl-5,6,7,8-tetrahydro-1H-pteridine-3,5-diium-4-one Openeye Name: (6S,7R)-2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-1H-pteridine-3,5-diium-4-one CAS Name: (6S,7R)-2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-1H-pteridine-3,5-diium-4-one IUPAC Name: (6S,7R)-2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-1H-pteridine-3,5-diium-4-one Traditional Name: (6S,7R)-2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-1H-pteridine-3,5-diium-4-one Formula: C8H15N5O+2 MolecularWeight: 197.2376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(NC2=C([NH2+]1)C(=O)[NH+]=C(N2)N)C

Isomeric SMILES

C[C@H]1[C@H](NC2=C([NH2+]1)C(=O)[NH+]=C(N2)N)C

InChI

InChI=1S/C8H13N5O/c1-3-4(2)11-6-5(10-3)7(14)13-8(9)12-6/h3-4,10H,1-2H3,(H4,9,11,12,13,14)/p+2/t3-,4+/m0/s1