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

Systemtic Name: 1,3,7-trimethyl-8-[2-(2-propylphenoxy)ethylamino]purine-2,6-dione Openeye Name: 1,3,7-trimethyl-8-[2-(2-propylphenoxy)ethylamino]purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-[2-(2-propylphenoxy)ethylamino]purine-2,6-dione IUPAC Name: 1,3,7-trimethyl-8-[2-(2-propylphenoxy)ethylamino]purine-2,6-dione Traditional Name: 1,3,7-trimethyl-8-[2-(2-propylphenoxy)ethylamino]xanthine Formula: C19H25N5O3 MolecularWeight: 371.4335

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=CC=C1OCCNC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCCC1=CC=CC=C1OCCNC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C19H25N5O3/c1-5-8-13-9-6-7-10-14(13)27-12-11-20-18-21-16-15(22(18)2)17(25)24(4)19(26)23(16)3/h6-7,9-10H,5,8,11-12H2,1-4H3,(H,20,21)