(2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl) 3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]propanoate

Systemtic Name: (2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl) 3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]propanoate Openeye Name: (2-oxo-1-phenyl-2-pyrrolidin-1-yl-ethyl) 3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propanoate CAS Name: 3-(1,3-dimethyl-2,6-dioxo-7-purinyl)propanoic acid [2-oxo-1-phenyl-2-(1-pyrrolidinyl)ethyl] ester IUPAC Name: (2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanoate Traditional Name: 3-(2,6-diketo-1,3-dimethyl-purin-7-yl)propionic acid (2-keto-1-phenyl-2-pyrrolidino-ethyl) ester Formula: C22H25N5O5 MolecularWeight: 439.4644

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)OC(C3=CC=CC=C3)C(=O)N4CCCC4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)OC(C3=CC=CC=C3)C(=O)N4CCCC4

InChI

InChI=1S/C22H25N5O5/c1-24-19-17(20(29)25(2)22(24)31)27(14-23-19)13-10-16(28)32-18(15-8-4-3-5-9-15)21(30)26-11-6-7-12-26/h3-5,8-9,14,18H,6-7,10-13H2,1-2H3