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

Systemtic Name: diethyl 2-[3-methyl-8-[(3-methylpiperidin-1-yl)methyl]-2,6-bis(oxidanylidene)purin-7-yl]propanedioate Openeye Name: diethyl 2-[3-methyl-8-[(3-methyl-1-piperidyl)methyl]-2,6-dioxo-purin-7-yl]propanedioate CAS Name: 2-[3-methyl-8-[(3-methyl-1-piperidinyl)methyl]-2,6-dioxo-7-purinyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[3-methyl-8-[(3-methylpiperidin-1-yl)methyl]-2,6-dioxopurin-7-yl]propanedioate Traditional Name: 2-[2,6-diketo-3-methyl-8-[(3-methylpiperidino)methyl]purin-7-yl]malonic acid diethyl ester Formula: C20H29N5O6 MolecularWeight: 435.47416

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)N1C(=NC2=C1C(=O)NC(=O)N2C)CN3CCCC(C3)C

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)N1C(=NC2=C1C(=O)NC(=O)N2C)CN3CCCC(C3)C

InChI

InChI=1S/C20H29N5O6/c1-5-30-18(27)15(19(28)31-6-2)25-13(11-24-9-7-8-12(3)10-24)21-16-14(25)17(26)22-20(29)23(16)4/h12,15H,5-11H2,1-4H3,(H,22,26,29)