diethyl 2-[3-methyl-2,6-bis(oxidanylidene)-8-(pyrrolidin-1-ylmethyl)purin-7-yl]propanedioate

Systemtic Name: diethyl 2-[3-methyl-2,6-bis(oxidanylidene)-8-(pyrrolidin-1-ylmethyl)purin-7-yl]propanedioate Openeye Name: diethyl 2-[3-methyl-2,6-dioxo-8-(pyrrolidin-1-ylmethyl)purin-7-yl]propanedioate CAS Name: 2-[3-methyl-2,6-dioxo-8-(1-pyrrolidinylmethyl)-7-purinyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[3-methyl-2,6-dioxo-8-(pyrrolidin-1-ylmethyl)purin-7-yl]propanedioate Traditional Name: 2-[2,6-diketo-3-methyl-8-(pyrrolidinomethyl)purin-7-yl]malonic acid diethyl ester Formula: C18H25N5O6 MolecularWeight: 407.421

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)N1C(=NC2=C1C(=O)NC(=O)N2C)CN3CCCC3

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)N1C(=NC2=C1C(=O)NC(=O)N2C)CN3CCCC3

InChI

InChI=1S/C18H25N5O6/c1-4-28-16(25)13(17(26)29-5-2)23-11(10-22-8-6-7-9-22)19-14-12(23)15(24)20-18(27)21(14)3/h13H,4-10H2,1-3H3,(H,20,24,27)