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

Systemtic Name: ethyl 2-[4-[3-methyl-2,6-bis(oxidanylidene)-7-prop-2-enyl-purin-8-yl]piperazin-1-ium-1-yl]ethanoate Openeye Name: ethyl 2-[4-(7-allyl-3-methyl-2,6-dioxo-purin-8-yl)piperazin-1-ium-1-yl]acetate CAS Name: 2-[4-(3-methyl-2,6-dioxo-7-prop-2-enyl-8-purinyl)-1-piperazin-1-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(3-methyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)piperazin-1-ium-1-yl]acetate Traditional Name: 2-[4-(7-allyl-2,6-diketo-3-methyl-purin-8-yl)piperazin-1-ium-1-yl]acetic acid ethyl ester Formula: C17H25N6O4+ MolecularWeight: 377.4182

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[NH+]1CCN(CC1)C2=NC3=C(N2CC=C)C(=O)NC(=O)N3C

Isomeric SMILES

CCOC(=O)C[NH+]1CCN(CC1)C2=NC3=C(N2CC=C)C(=O)NC(=O)N3C

InChI

InChI=1S/C17H24N6O4/c1-4-6-23-13-14(20(3)17(26)19-15(13)25)18-16(23)22-9-7-21(8-10-22)11-12(24)27-5-2/h4H,1,5-11H2,2-3H3,(H,19,25,26)/p+1