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

Systemtic Name: methyl 3-[3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]propanoylamino]benzoate Openeye Name: methyl 3-[3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propanoylamino]benzoate CAS Name: 3-[[3-(1,3-dimethyl-2,6-dioxo-7-purinyl)-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanoylamino]benzoate Traditional Name: 3-[3-(2,6-diketo-1,3-dimethyl-purin-7-yl)propanoylamino]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)CCC(=O)NC3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)NC3=CC=CC(=C3)C(=O)OC

InChI

InChI=1S/C18H19N5O5/c1-21-15-14(16(25)22(2)18(21)27)23(10-19-15)8-7-13(24)20-12-6-4-5-11(9-12)17(26)28-3/h4-6,9-10H,7-8H2,1-3H3,(H,20,24)