diethyl 2-[3-methyl-8-(morpholin-4-ylmethyl)-2,6-bis(oxidanylidene)purin-7-yl]propanedioate

Systemtic Name: diethyl 2-[3-methyl-8-(morpholin-4-ylmethyl)-2,6-bis(oxidanylidene)purin-7-yl]propanedioate Openeye Name: diethyl 2-[3-methyl-8-(morpholinomethyl)-2,6-dioxo-purin-7-yl]propanedioate CAS Name: 2-[3-methyl-8-(4-morpholinylmethyl)-2,6-dioxo-7-purinyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[3-methyl-8-(morpholin-4-ylmethyl)-2,6-dioxopurin-7-yl]propanedioate Traditional Name: 2-[2,6-diketo-3-methyl-8-(morpholinomethyl)purin-7-yl]malonic acid diethyl ester Formula: C18H25N5O7 MolecularWeight: 423.4204

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)CN3CCOCC3

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)N1C(=NC2=C1C(=O)NC(=O)N2C)CN3CCOCC3

InChI

InChI=1S/C18H25N5O7/c1-4-29-16(25)13(17(26)30-5-2)23-11(10-22-6-8-28-9-7-22)19-14-12(23)15(24)20-18(27)21(14)3/h13H,4-10H2,1-3H3,(H,20,24,27)