methyl 2-[8-imidazol-1-yl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoate

Systemtic Name: methyl 2-[8-imidazol-1-yl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoate Openeye Name: methyl 2-(8-imidazol-1-yl-1,3-dimethyl-2,6-dioxo-purin-7-yl)acetate CAS Name: 2-[8-(1-imidazolyl)-1,3-dimethyl-2,6-dioxo-7-purinyl]acetic acid methyl ester IUPAC Name: methyl 2-(8-imidazol-1-yl-1,3-dimethyl-2,6-dioxopurin-7-yl)acetate Traditional Name: 2-(8-imidazol-1-yl-2,6-diketo-1,3-dimethyl-purin-7-yl)acetic acid methyl ester Formula: C13H14N6O4 MolecularWeight: 318.28806

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3C=CN=C3)CC(=O)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3C=CN=C3)CC(=O)OC

InChI

InChI=1S/C13H14N6O4/c1-16-10-9(11(21)17(2)13(16)22)19(6-8(20)23-3)12(15-10)18-5-4-14-7-18/h4-5,7H,6H2,1-3H3