[(Z)-4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]but-2-enyl] 4-azidobenzoate

Systemtic Name: [(Z)-4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]but-2-enyl] 4-azidobenzoate Openeye Name: [(Z)-4-(1,3-dimethyl-2,6-dioxo-purin-9-yl)but-2-enyl] 4-azidobenzoate CAS Name: 4-azidobenzoic acid [(Z)-4-(1,3-dimethyl-2,6-dioxo-9-purinyl)but-2-enyl] ester IUPAC Name: [(Z)-4-(1,3-dimethyl-2,6-dioxopurin-9-yl)but-2-enyl] 4-azidobenzoate Traditional Name: 4-azidobenzoic acid [(Z)-4-(2,6-diketo-1,3-dimethyl-purin-9-yl)but-2-enyl] ester Formula: C18H17N7O4 MolecularWeight: 395.37208

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=CN2CC=CCOC(=O)C3=CC=C(C=C3)N=[N+]=[N-]

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=CN2C/C=C\COC(=O)C3=CC=C(C=C3)N=[N+]=[N-]

InChI

InChI=1S/C18H17N7O4/c1-23-15-14(16(26)24(2)18(23)28)20-11-25(15)9-3-4-10-29-17(27)12-5-7-13(8-6-12)21-22-19/h3-8,11H,9-10H2,1-2H3/b4-3-