2-azanyl-6-[[(4-carbonazidoylphenyl)amino]methyl]-1H-pteridin-4-one

Systemtic Name: 2-azanyl-6-[[(4-carbonazidoylphenyl)amino]methyl]-1H-pteridin-4-one Openeye Name: 4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl azide CAS Name: 2-amino-6-[(4-carbonazidoylanilino)methyl]-1H-pteridin-4-one IUPAC Name: 4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl azide Traditional Name: 2-amino-6-[(4-carbonazidoylanilino)methyl]-1H-pteridin-4-one Formula: C14H11N9O2 MolecularWeight: 337.29624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)N=[N+]=[N-])NCC2=CN=C3C(=N2)C(=O)N=C(N3)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)N=[N+]=[N-])NCC2=CN=C3C(=N2)C(=O)N=C(N3)N

InChI

InChI=1S/C14H11N9O2/c15-14-20-11-10(13(25)21-14)19-9(6-18-11)5-17-8-3-1-7(2-4-8)12(24)22-23-16/h1-4,6,17H,5H2,(H3,15,18,20,21,25)