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

Systemtic Name: methyl 3-[3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]propanoylamino]propanoate Openeye Name: methyl 3-[3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propanoylamino]propanoate CAS Name: 3-[[3-(1,3-dimethyl-2,6-dioxo-7-purinyl)-1-oxopropyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanoylamino]propanoate Traditional Name: 3-[3-(2,6-diketo-1,3-dimethyl-purin-7-yl)propanoylamino]propionic acid methyl ester Formula: C14H19N5O5 MolecularWeight: 337.33116

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)NCCC(=O)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)NCCC(=O)OC

InChI

InChI=1S/C14H19N5O5/c1-17-12-11(13(22)18(2)14(17)23)19(8-16-12)7-5-9(20)15-6-4-10(21)24-3/h8H,4-7H2,1-3H3,(H,15,20)