1,3-dimethyl-4-(9-methyl-6-oxidanylidene-3H-purin-8-yl)pyrrole-2,5-dione

Systemtic Name: 1,3-dimethyl-4-(9-methyl-6-oxidanylidene-3H-purin-8-yl)pyrrole-2,5-dione Openeye Name: 1,3-dimethyl-4-(9-methyl-6-oxo-3H-purin-8-yl)pyrrole-2,5-dione CAS Name: 1,3-dimethyl-4-(9-methyl-6-oxo-3H-purin-8-yl)pyrrole-2,5-dione IUPAC Name: 1,3-dimethyl-4-(9-methyl-6-oxo-3H-purin-8-yl)pyrrole-2,5-dione Traditional Name: 3-(6-keto-9-methyl-3H-purin-8-yl)-1,4-dimethyl-3-pyrroline-2,5-quinone Formula: C12H11N5O3 MolecularWeight: 273.24744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C1=O)C)C2=NC3=C(N2C)NC=NC3=O

Isomeric SMILES

CC1=C(C(=O)N(C1=O)C)C2=NC3=C(N2C)NC=NC3=O

InChI

InChI=1S/C12H11N5O3/c1-5-6(12(20)17(3)11(5)19)8-15-7-9(16(8)2)13-4-14-10(7)18/h4H,1-3H3,(H,13,14,18)