diethyl 2-[3-methyl-8-[(4-methylpiperazin-1-yl)methyl]-2,6-bis(oxidanylidene)purin-7-yl]propanedioate

Systemtic Name: diethyl 2-[3-methyl-8-[(4-methylpiperazin-1-yl)methyl]-2,6-bis(oxidanylidene)purin-7-yl]propanedioate Openeye Name: diethyl 2-[3-methyl-8-[(4-methylpiperazin-1-yl)methyl]-2,6-dioxo-purin-7-yl]propanedioate CAS Name: 2-[3-methyl-8-[(4-methyl-1-piperazinyl)methyl]-2,6-dioxo-7-purinyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[3-methyl-8-[(4-methylpiperazin-1-yl)methyl]-2,6-dioxopurin-7-yl]propanedioate Traditional Name: 2-[2,6-diketo-3-methyl-8-[(4-methylpiperazino)methyl]purin-7-yl]malonic acid diethyl ester Formula: C19H28N6O6 MolecularWeight: 436.46222

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)N1C(=NC2=C1C(=O)NC(=O)N2C)CN3CCN(CC3)C

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)N1C(=NC2=C1C(=O)NC(=O)N2C)CN3CCN(CC3)C

InChI

InChI=1S/C19H28N6O6/c1-5-30-17(27)14(18(28)31-6-2)25-12(11-24-9-7-22(3)8-10-24)20-15-13(25)16(26)21-19(29)23(15)4/h14H,5-11H2,1-4H3,(H,21,26,29)