methyl 2-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoyl-methyl-amino]benzoate

Systemtic Name: methyl 2-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoyl-methyl-amino]benzoate Openeye Name: methyl 2-[[2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetyl]-methyl-amino]benzoate CAS Name: 2-[[2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-1-oxoethyl]-methylamino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]-methylamino]benzoate Traditional Name: 2-[[2-(2,6-diketo-1,3-dimethyl-purin-7-yl)acetyl]-methyl-amino]benzoic acid methyl ester Formula: C18H19N5O5 MolecularWeight: 385.37396

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N(C)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N(C)C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C18H19N5O5/c1-20(12-8-6-5-7-11(12)17(26)28-4)13(24)9-23-10-19-15-14(23)16(25)22(3)18(27)21(15)2/h5-8,10H,9H2,1-4H3