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

Systemtic Name: diethyl 2-[8-(diethylaminomethyl)-3-methyl-2,6-bis(oxidanylidene)purin-7-yl]propanedioate Openeye Name: diethyl 2-[8-(diethylaminomethyl)-3-methyl-2,6-dioxo-purin-7-yl]propanedioate CAS Name: 2-[8-(diethylaminomethyl)-3-methyl-2,6-dioxo-7-purinyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[8-(diethylaminomethyl)-3-methyl-2,6-dioxopurin-7-yl]propanedioate Traditional Name: 2-[8-(diethylaminomethyl)-2,6-diketo-3-methyl-purin-7-yl]malonic acid diethyl ester Formula: C18H27N5O6 MolecularWeight: 409.43688

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=NC2=C(N1C(C(=O)OCC)C(=O)OCC)C(=O)NC(=O)N2C

Isomeric SMILES

CCN(CC)CC1=NC2=C(N1C(C(=O)OCC)C(=O)OCC)C(=O)NC(=O)N2C

InChI

InChI=1S/C18H27N5O6/c1-6-22(7-2)10-11-19-14-12(15(24)20-18(27)21(14)5)23(11)13(16(25)28-8-3)17(26)29-9-4/h13H,6-10H2,1-5H3,(H,20,24,27)