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

Systemtic Name: diethyl 2-[8-[(dipropylamino)methyl]-3-methyl-2,6-bis(oxidanylidene)purin-7-yl]propanedioate Openeye Name: diethyl 2-[8-[(dipropylamino)methyl]-3-methyl-2,6-dioxo-purin-7-yl]propanedioate CAS Name: 2-[8-[(dipropylamino)methyl]-3-methyl-2,6-dioxo-7-purinyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[8-[(dipropylamino)methyl]-3-methyl-2,6-dioxopurin-7-yl]propanedioate Traditional Name: 2-[8-[(dipropylamino)methyl]-2,6-diketo-3-methyl-purin-7-yl]malonic acid diethyl ester Formula: C20H31N5O6 MolecularWeight: 437.49004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)CC1=NC2=C(N1C(C(=O)OCC)C(=O)OCC)C(=O)NC(=O)N2C

Isomeric SMILES

CCCN(CCC)CC1=NC2=C(N1C(C(=O)OCC)C(=O)OCC)C(=O)NC(=O)N2C

InChI

InChI=1S/C20H31N5O6/c1-6-10-24(11-7-2)12-13-21-16-14(17(26)22-20(29)23(16)5)25(13)15(18(27)30-8-3)19(28)31-9-4/h15H,6-12H2,1-5H3,(H,22,26,29)