1,3-dimethyl-7H-purine-2,6-dione; 1,3-thiazole

Systemtic Name: 1,3-dimethyl-7H-purine-2,6-dione; 1,3-thiazole Openeye Name: 1,3-dimethyl-7H-purine-2,6-dione; thiazole CAS Name: 1,3-dimethyl-7H-purine-2,6-dione; thiazole IUPAC Name: 1,3-dimethyl-7H-purine-2,6-dione; 1,3-thiazole Traditional Name: theophylline; thiazole Formula: C10H11N5O2S MolecularWeight: 265.29164

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC=N2.C1=CSC=N1

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC=N2.C1=CSC=N1

InChI

InChI=1S/C7H8N4O2.C3H3NS/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;1-2-5-3-4-1/h3H,1-2H3,(H,8,9);1-3H