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

Systemtic Name: 1,3-dimethyl-4-[9-methyl-2-(methylamino)-6-oxidanylidene-3H-purin-8-yl]pyrrole-2,5-dione Openeye Name: 1,3-dimethyl-4-[9-methyl-2-(methylamino)-6-oxo-3H-purin-8-yl]pyrrole-2,5-dione CAS Name: 1,3-dimethyl-4-[9-methyl-2-(methylamino)-6-oxo-3H-purin-8-yl]pyrrole-2,5-dione IUPAC Name: 1,3-dimethyl-4-[9-methyl-2-(methylamino)-6-oxo-3H-purin-8-yl]pyrrole-2,5-dione Traditional Name: 3-[6-keto-9-methyl-2-(methylamino)-3H-purin-8-yl]-1,4-dimethyl-3-pyrroline-2,5-quinone Formula: C13H14N6O3 MolecularWeight: 302.28866

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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)NC

Isomeric SMILES

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

InChI

InChI=1S/C13H14N6O3/c1-5-6(12(22)19(4)11(5)21)8-15-7-9(18(8)3)16-13(14-2)17-10(7)20/h1-4H3,(H2,14,16,17,20)