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

Systemtic Name: 1,3,7-trimethyl-8-[2-(3-methylphenoxy)ethylamino]purine-2,6-dione Openeye Name: 1,3,7-trimethyl-8-[2-(3-methylphenoxy)ethylamino]purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-[2-(3-methylphenoxy)ethylamino]purine-2,6-dione IUPAC Name: 1,3,7-trimethyl-8-[2-(3-methylphenoxy)ethylamino]purine-2,6-dione Traditional Name: 1,3,7-trimethyl-8-[2-(3-methylphenoxy)ethylamino]xanthine Formula: C17H21N5O3 MolecularWeight: 343.38034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCNC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1=CC(=CC=C1)OCCNC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C17H21N5O3/c1-11-6-5-7-12(10-11)25-9-8-18-16-19-14-13(20(16)2)15(23)22(4)17(24)21(14)3/h5-7,10H,8-9H2,1-4H3,(H,18,19)