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

Systemtic Name: diethyl 2-[8-[(4-ethylpiperazin-1-yl)methyl]-3-methyl-2,6-bis(oxidanylidene)purin-7-yl]propanedioate Openeye Name: diethyl 2-[8-[(4-ethylpiperazin-1-yl)methyl]-3-methyl-2,6-dioxo-purin-7-yl]propanedioate CAS Name: 2-[8-[(4-ethyl-1-piperazinyl)methyl]-3-methyl-2,6-dioxo-7-purinyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[8-[(4-ethylpiperazin-1-yl)methyl]-3-methyl-2,6-dioxopurin-7-yl]propanedioate Traditional Name: 2-[8-[(4-ethylpiperazino)methyl]-2,6-diketo-3-methyl-purin-7-yl]malonic acid diethyl ester Formula: C20H30N6O6 MolecularWeight: 450.4888

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC2=NC3=C(N2C(C(=O)OCC)C(=O)OCC)C(=O)NC(=O)N3C

Isomeric SMILES

CCN1CCN(CC1)CC2=NC3=C(N2C(C(=O)OCC)C(=O)OCC)C(=O)NC(=O)N3C

InChI

InChI=1S/C20H30N6O6/c1-5-24-8-10-25(11-9-24)12-13-21-16-14(17(27)22-20(30)23(16)4)26(13)15(18(28)31-6-2)19(29)32-7-3/h15H,5-12H2,1-4H3,(H,22,27,30)