4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]benzamide

Systemtic Name: 4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]benzamide Openeye Name: 4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzamide CAS Name: 4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzamide IUPAC Name: 4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzamide Traditional Name: 4-[(2-amino-4-keto-1H-pteridin-6-yl)methylamino]benzamide Formula: C14H13N7O2 MolecularWeight: 311.29872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)N)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)N)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N

InChI

InChI=1S/C14H13N7O2/c15-11(22)7-1-3-8(4-2-7)17-5-9-6-18-12-10(19-9)13(23)21-14(16)20-12/h1-4,6,17H,5H2,(H2,15,22)(H3,16,18,20,21,23)