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

Systemtic Name: diethyl 2-[8-[(4-ethoxycarbonylpiperazin-1-yl)methyl]-3-methyl-2,6-bis(oxidanylidene)purin-7-yl]propanedioate Openeye Name: diethyl 2-[8-[(4-ethoxycarbonylpiperazin-1-yl)methyl]-3-methyl-2,6-dioxo-purin-7-yl]propanedioate CAS Name: 2-[8-[(4-ethoxycarbonyl-1-piperazinyl)methyl]-3-methyl-2,6-dioxo-7-purinyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[8-[(4-ethoxycarbonylpiperazin-1-yl)methyl]-3-methyl-2,6-dioxopurin-7-yl]propanedioate Traditional Name: 2-[8-[(4-carbethoxypiperazino)methyl]-2,6-diketo-3-methyl-purin-7-yl]malonic acid diethyl ester Formula: C21H30N6O8 MolecularWeight: 494.4983

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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(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C21H30N6O8/c1-5-33-18(29)15(19(30)34-6-2)27-13(22-16-14(27)17(28)23-20(31)24(16)4)12-25-8-10-26(11-9-25)21(32)35-7-3/h15H,5-12H2,1-4H3,(H,23,28,31)