1,3,7-trimethyl-8-(3-methylphenoxy)purine-2,6-dione

Systemtic Name: 1,3,7-trimethyl-8-(3-methylphenoxy)purine-2,6-dione Openeye Name: 1,3,7-trimethyl-8-(3-methylphenoxy)purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-(3-methylphenoxy)purine-2,6-dione IUPAC Name: 1,3,7-trimethyl-8-(3-methylphenoxy)purine-2,6-dione Traditional Name: 1,3,7-trimethyl-8-(3-methylphenoxy)xanthine Formula: C15H16N4O3 MolecularWeight: 300.31254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1=CC(=CC=C1)OC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C15H16N4O3/c1-9-6-5-7-10(8-9)22-14-16-12-11(17(14)2)13(20)19(4)15(21)18(12)3/h5-8H,1-4H3