3,7-dimethyl-1-[3-(4-phenylphenoxy)propyl]purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-[3-(4-phenylphenoxy)propyl]purine-2,6-dione Openeye Name: 3,7-dimethyl-1-[3-(4-phenylphenoxy)propyl]purine-2,6-dione CAS Name: 3,7-dimethyl-1-[3-(4-phenylphenoxy)propyl]purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-[3-(4-phenylphenoxy)propyl]purine-2,6-dione Traditional Name: 3,7-dimethyl-1-[3-(4-phenylphenoxy)propyl]xanthine Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H22N4O3/c1-24-15-23-20-19(24)21(27)26(22(28)25(20)2)13-6-14-29-18-11-9-17(10-12-18)16-7-4-3-5-8-16/h3-5,7-12,15H,6,13-14H2,1-2H3