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

Systemtic Name: diethyl 2-[3-methyl-2,6-bis(oxidanylidene)-8-(piperidin-1-ylmethyl)purin-7-yl]propanedioate Openeye Name: diethyl 2-[3-methyl-2,6-dioxo-8-(1-piperidylmethyl)purin-7-yl]propanedioate CAS Name: 2-[3-methyl-2,6-dioxo-8-(1-piperidinylmethyl)-7-purinyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[3-methyl-2,6-dioxo-8-(piperidin-1-ylmethyl)purin-7-yl]propanedioate Traditional Name: 2-[2,6-diketo-3-methyl-8-(piperidinomethyl)purin-7-yl]malonic acid diethyl ester Formula: C19H27N5O6 MolecularWeight: 421.44758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)N1C(=NC2=C1C(=O)NC(=O)N2C)CN3CCCCC3

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)N1C(=NC2=C1C(=O)NC(=O)N2C)CN3CCCCC3

InChI

InChI=1S/C19H27N5O6/c1-4-29-17(26)14(18(27)30-5-2)24-12(11-23-9-7-6-8-10-23)20-15-13(24)16(25)21-19(28)22(15)3/h14H,4-11H2,1-3H3,(H,21,25,28)