4-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]butan-2-olate

Systemtic Name: 4-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]butan-2-olate Openeye Name: 4-(3,7-dimethyl-2,6-dioxo-purin-1-yl)butan-2-olate CAS Name: 4-(3,7-dimethyl-2,6-dioxo-1-purinyl)-2-butanolate IUPAC Name: 4-(3,7-dimethyl-2,6-dioxopurin-1-yl)butan-2-olate Traditional Name: 4-(2,6-diketo-3,7-dimethyl-purin-1-yl)butan-2-olate Formula: C11H15N4O3- MolecularWeight: 251.2618

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCN1C(=O)C2=C(N=CN2C)N(C1=O)C)[O-]

Isomeric SMILES

CC(CCN1C(=O)C2=C(N=CN2C)N(C1=O)C)[O-]

InChI

InChI=1S/C11H15N4O3/c1-7(16)4-5-15-10(17)8-9(12-6-13(8)2)14(3)11(15)18/h6-7H,4-5H2,1-3H3/q-1