1,3,7-trimethyl-8-(4-phenylbutoxy)purine-2,6-dione

Systemtic Name: 1,3,7-trimethyl-8-(4-phenylbutoxy)purine-2,6-dione Openeye Name: 1,3,7-trimethyl-8-(4-phenylbutoxy)purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-(4-phenylbutoxy)purine-2,6-dione IUPAC Name: 1,3,7-trimethyl-8-(4-phenylbutoxy)purine-2,6-dione Traditional Name: 1,3,7-trimethyl-8-(4-phenylbutoxy)xanthine Formula: C18H22N4O3 MolecularWeight: 342.39228

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1OCCCCC3=CC=CC=C3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1OCCCCC3=CC=CC=C3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C18H22N4O3/c1-20-14-15(21(2)18(24)22(3)16(14)23)19-17(20)25-12-8-7-11-13-9-5-4-6-10-13/h4-6,9-10H,7-8,11-12H2,1-3H3