1,3-dimethyl-7-[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]purine-2,6-dione Traditional Name: 7-[2-keto-2-(1H-pyrrol-2-yl)ethyl]-1,3-dimethyl-xanthine Formula: C13H13N5O3 MolecularWeight: 287.27402

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)C3=CC=CN3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)C3=CC=CN3

InChI

InChI=1S/C13H13N5O3/c1-16-11-10(12(20)17(2)13(16)21)18(7-15-11)6-9(19)8-4-3-5-14-8/h3-5,7,14H,6H2,1-2H3