methyl 3-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]-phenyl-amino]propanoate

Systemtic Name: methyl 3-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]-phenyl-amino]propanoate Openeye Name: methyl 3-(N-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)anilino)propanoate CAS Name: 3-(N-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)anilino)propanoic acid methyl ester IUPAC Name: methyl 3-(N-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)anilino)propanoate Traditional Name: 3-(N-(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)anilino)propionic acid methyl ester Formula: C17H19N5O4 MolecularWeight: 357.36386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N5O4/c1-20-14-13(15(24)21(2)17(20)25)18-16(19-14)22(10-9-12(23)26-3)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,18,19)