ethyl 2-[3,7-dimethyl-8-morpholin-4-ium-4-ylidene-2,6-bis(oxidanylidene)-9H-purin-1-yl]ethanoate

Systemtic Name: ethyl 2-[3,7-dimethyl-8-morpholin-4-ium-4-ylidene-2,6-bis(oxidanylidene)-9H-purin-1-yl]ethanoate Openeye Name: ethyl 2-(3,7-dimethyl-8-morpholin-4-ium-4-ylidene-2,6-dioxo-9H-purin-1-yl)acetate CAS Name: 2-[3,7-dimethyl-8-(4-morpholin-4-iumylidene)-2,6-dioxo-9H-purin-1-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-(3,7-dimethyl-8-morpholin-4-ium-4-ylidene-2,6-dioxo-9H-purin-1-yl)acetate Traditional Name: 2-(2,6-diketo-3,7-dimethyl-8-morpholin-4-ium-4-ylidene-9H-purin-1-yl)acetic acid ethyl ester Formula: C15H22N5O5+ MolecularWeight: 352.36568

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=O)C2=C(NC(=[N+]3CCOCC3)N2C)N(C1=O)C

Isomeric SMILES

CCOC(=O)CN1C(=O)C2=C(NC(=[N+]3CCOCC3)N2C)N(C1=O)C

InChI

InChI=1S/C15H21N5O5/c1-4-25-10(21)9-20-13(22)11-12(18(3)15(20)23)16-14(17(11)2)19-5-7-24-8-6-19/h4-9H2,1-3H3/p+1