[2-azanyl-5-(4-azidophenyl)carbonyl-4-oxidanylidene-1,6,7,8-tetrahydropteridin-6-yl]methyl 4-azidobenzoate

Systemtic Name: [2-azanyl-5-(4-azidophenyl)carbonyl-4-oxidanylidene-1,6,7,8-tetrahydropteridin-6-yl]methyl 4-azidobenzoate Openeye Name: [2-amino-5-(4-azidobenzoyl)-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methyl 4-azidobenzoate CAS Name: 4-azidobenzoic acid [2-amino-5-[(4-azidophenyl)-oxomethyl]-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methyl ester IUPAC Name: [2-amino-5-(4-azidobenzoyl)-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methyl 4-azidobenzoate Traditional Name: 4-azidobenzoic acid [2-amino-5-(4-azidobenzoyl)-4-keto-1,6,7,8-tetrahydropteridin-6-yl]methyl ester Formula: C21H17N11O4 MolecularWeight: 487.43098

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C2=C(N1)NC(=NC2=O)N)C(=O)C3=CC=C(C=C3)N=[N+]=[N-])COC(=O)C4=CC=C(C=C4)N=[N+]=[N-]

Isomeric SMILES

C1C(N(C2=C(N1)NC(=NC2=O)N)C(=O)C3=CC=C(C=C3)N=[N+]=[N-])COC(=O)C4=CC=C(C=C4)N=[N+]=[N-]

InChI

InChI=1S/C21H17N11O4/c22-21-26-17-16(18(33)27-21)32(19(34)11-1-5-13(6-2-11)28-30-23)15(9-25-17)10-36-20(35)12-3-7-14(8-4-12)29-31-24/h1-8,15H,9-10H2,(H4,22,25,26,27,33)