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

Systemtic Name: pentyl 2-[3-methyl-8-(4-methylpiperazin-4-ium-1-yl)-2,6-bis(oxidanylidene)purin-7-yl]ethanoate Openeye Name: pentyl 2-[3-methyl-8-(4-methylpiperazin-4-ium-1-yl)-2,6-dioxo-purin-7-yl]acetate CAS Name: 2-[3-methyl-8-(4-methyl-1-piperazin-4-iumyl)-2,6-dioxo-7-purinyl]acetic acid pentyl ester IUPAC Name: pentyl 2-[3-methyl-8-(4-methylpiperazin-4-ium-1-yl)-2,6-dioxopurin-7-yl]acetate Traditional Name: 2-[2,6-diketo-3-methyl-8-(4-methylpiperazin-4-ium-1-yl)purin-7-yl]acetic acid amyl ester Formula: C18H29N6O4+ MolecularWeight: 393.46066

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)CN1C2=C(N=C1N3CC[NH+](CC3)C)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCOC(=O)CN1C2=C(N=C1N3CC[NH+](CC3)C)N(C(=O)NC2=O)C

InChI

InChI=1S/C18H28N6O4/c1-4-5-6-11-28-13(25)12-24-14-15(22(3)18(27)20-16(14)26)19-17(24)23-9-7-21(2)8-10-23/h4-12H2,1-3H3,(H,20,26,27)/p+1