1,3-dimethyl-7H-purine-2,6-dione; 3-methyl-2-phenyl-morpholine

Systemtic Name: 1,3-dimethyl-7H-purine-2,6-dione; 3-methyl-2-phenyl-morpholine Openeye Name: 1,3-dimethyl-7H-purine-2,6-dione; 3-methyl-2-phenyl-morpholine CAS Name: 1,3-dimethyl-7H-purine-2,6-dione; 3-methyl-2-phenylmorpholine IUPAC Name: 1,3-dimethyl-7H-purine-2,6-dione; 3-methyl-2-phenylmorpholine Traditional Name: 3-methyl-2-phenyl-morpholine; theophylline Formula: C18H23N5O3 MolecularWeight: 357.40692

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(OCCN1)C2=CC=CC=C2.CN1C2=C(C(=O)N(C1=O)C)NC=N2

Isomeric SMILES

CC1C(OCCN1)C2=CC=CC=C2.CN1C2=C(C(=O)N(C1=O)C)NC=N2

InChI

InChI=1S/C11H15NO.C7H8N4O2/c1-9-11(13-8-7-12-9)10-5-3-2-4-6-10;1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h2-6,9,11-12H,7-8H2,1H3;3H,1-2H3,(H,8,9)