4-azanyl-1-methyl-3H-pteridin-1-ium-2-one

Systemtic Name: 4-azanyl-1-methyl-3H-pteridin-1-ium-2-one Openeye Name: 4-amino-1-methyl-3H-pteridin-1-ium-2-one CAS Name: 4-amino-1-methyl-3H-pteridin-1-ium-2-one IUPAC Name: 4-amino-1-methyl-3H-pteridin-1-ium-2-one Traditional Name: 4-amino-1-methyl-3H-pteridin-1-ium-2-one Formula: C7H8N5O+ MolecularWeight: 178.17132

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C(=C(NC1=O)N)N=CC=N2

Isomeric SMILES

C[N+]1=C2C(=C(NC1=O)N)N=CC=N2

InChI

InChI=1S/C7H7N5O/c1-12-6-4(9-2-3-10-6)5(8)11-7(12)13/h2-3H,1H3,(H2,8,11,13)/p+1