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

Systemtic Name: ethyl 2-[3-methyl-8-(4-methylpiperazin-1-yl)-2,6-bis(oxidanylidene)purin-7-yl]ethanoate Openeye Name: ethyl 2-[3-methyl-8-(4-methylpiperazin-1-yl)-2,6-dioxo-purin-7-yl]acetate CAS Name: 2-[3-methyl-8-(4-methyl-1-piperazinyl)-2,6-dioxo-7-purinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-methyl-8-(4-methylpiperazin-1-yl)-2,6-dioxopurin-7-yl]acetate Traditional Name: 2-[2,6-diketo-3-methyl-8-(4-methylpiperazino)purin-7-yl]acetic acid ethyl ester Formula: C15H22N6O4 MolecularWeight: 350.37298

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(N=C1N3CCN(CC3)C)N(C(=O)NC2=O)C

Isomeric SMILES

CCOC(=O)CN1C2=C(N=C1N3CCN(CC3)C)N(C(=O)NC2=O)C

InChI

InChI=1S/C15H22N6O4/c1-4-25-10(22)9-21-11-12(19(3)15(24)17-13(11)23)16-14(21)20-7-5-18(2)6-8-20/h4-9H2,1-3H3,(H,17,23,24)