1-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-ium-7-ylidene]ethyl butanoate

Systemtic Name: 1-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-ium-7-ylidene]ethyl butanoate Openeye Name: 1-(1,3-dimethyl-2,6-dioxo-purin-7-ium-7-ylidene)ethyl butanoate CAS Name: butanoic acid 1-(1,3-dimethyl-2,6-dioxo-7-purin-7-iumylidene)ethyl ester IUPAC Name: 1-(1,3-dimethyl-2,6-dioxopurin-7-ium-7-ylidene)ethyl butanoate Traditional Name: butyric acid 1-(2,6-diketo-1,3-dimethyl-purin-7-ium-7-ylidene)ethyl ester Formula: C13H17N4O4+ MolecularWeight: 293.29848

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC(=[N+]1C=NC2=C1C(=O)N(C(=O)N2C)C)C

Isomeric SMILES

CCCC(=O)OC(=[N+]1C=NC2=C1C(=O)N(C(=O)N2C)C)C

InChI

InChI=1S/C13H17N4O4/c1-5-6-9(18)21-8(2)17-7-14-11-10(17)12(19)16(4)13(20)15(11)3/h7H,5-6H2,1-4H3/q+1