1-[2-(4-methylphenoxy)ethyl]-3,7-bis(2-methylpropyl)purine-2,6-dione

Systemtic Name: 1-[2-(4-methylphenoxy)ethyl]-3,7-bis(2-methylpropyl)purine-2,6-dione Openeye Name: 3,7-diisobutyl-1-[2-(4-methylphenoxy)ethyl]purine-2,6-dione CAS Name: 1-[2-(4-methylphenoxy)ethyl]-3,7-bis(2-methylpropyl)purine-2,6-dione IUPAC Name: 1-[2-(4-methylphenoxy)ethyl]-3,7-bis(2-methylpropyl)purine-2,6-dione Traditional Name: 3,7-diisobutyl-1-[2-(4-methylphenoxy)ethyl]xanthine Formula: C22H30N4O3 MolecularWeight: 398.4986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCN2C(=O)C3=C(N=CN3CC(C)C)N(C2=O)CC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)OCCN2C(=O)C3=C(N=CN3CC(C)C)N(C2=O)CC(C)C

InChI

InChI=1S/C22H30N4O3/c1-15(2)12-24-14-23-20-19(24)21(27)25(22(28)26(20)13-16(3)4)10-11-29-18-8-6-17(5)7-9-18/h6-9,14-16H,10-13H2,1-5H3