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

Systemtic Name: diethyl 2-[3-methyl-2,6-bis(oxidanylidene)-8-[(4-phenylpiperazin-1-yl)methyl]purin-7-yl]propanedioate Openeye Name: diethyl 2-[3-methyl-2,6-dioxo-8-[(4-phenylpiperazin-1-yl)methyl]purin-7-yl]propanedioate CAS Name: 2-[3-methyl-2,6-dioxo-8-[(4-phenyl-1-piperazinyl)methyl]-7-purinyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[3-methyl-2,6-dioxo-8-[(4-phenylpiperazin-1-yl)methyl]purin-7-yl]propanedioate Traditional Name: 2-[2,6-diketo-3-methyl-8-[(4-phenylpiperazino)methyl]purin-7-yl]malonic acid diethyl ester Formula: C24H30N6O6 MolecularWeight: 498.5316

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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)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)N1C(=NC2=C1C(=O)NC(=O)N2C)CN3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C24H30N6O6/c1-4-35-22(32)19(23(33)36-5-2)30-17(25-20-18(30)21(31)26-24(34)27(20)3)15-28-11-13-29(14-12-28)16-9-7-6-8-10-16/h6-10,19H,4-5,11-15H2,1-3H3,(H,26,31,34)