[[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-phenyl-methyl] 2-formamidoethanoate

Systemtic Name: [[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-phenyl-methyl] 2-formamidoethanoate Openeye Name: [(1,3-dimethyl-2,6-dioxo-purin-7-yl)-phenyl-methyl] 2-formamidoacetate CAS Name: 2-formamidoacetic acid [(1,3-dimethyl-2,6-dioxo-7-purinyl)-phenylmethyl] ester IUPAC Name: [(1,3-dimethyl-2,6-dioxopurin-7-yl)-phenylmethyl] 2-formamidoacetate Traditional Name: 2-formamidoacetic acid [(2,6-diketo-1,3-dimethyl-purin-7-yl)-phenyl-methyl] ester Formula: C17H17N5O5 MolecularWeight: 371.34738

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)C(C3=CC=CC=C3)OC(=O)CNC=O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)C(C3=CC=CC=C3)OC(=O)CNC=O

InChI

InChI=1S/C17H17N5O5/c1-20-14-13(15(25)21(2)17(20)26)22(9-19-14)16(11-6-4-3-5-7-11)27-12(24)8-18-10-23/h3-7,9-10,16H,8H2,1-2H3,(H,18,23)