3,7-bis(2-methylpropyl)-8-(3,4,5-trimethoxyphenyl)purine-2,6-dione

Systemtic Name: 3,7-bis(2-methylpropyl)-8-(3,4,5-trimethoxyphenyl)purine-2,6-dione Openeye Name: 3,7-diisobutyl-8-(3,4,5-trimethoxyphenyl)purine-2,6-dione CAS Name: 3,7-bis(2-methylpropyl)-8-(3,4,5-trimethoxyphenyl)purine-2,6-dione IUPAC Name: 3,7-bis(2-methylpropyl)-8-(3,4,5-trimethoxyphenyl)purine-2,6-dione Traditional Name: 3,7-diisobutyl-8-(3,4,5-trimethoxyphenyl)xanthine Formula: C22H30N4O5 MolecularWeight: 430.4974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(N=C1C3=CC(=C(C(=C3)OC)OC)OC)N(C(=O)NC2=O)CC(C)C

Isomeric SMILES

CC(C)CN1C2=C(N=C1C3=CC(=C(C(=C3)OC)OC)OC)N(C(=O)NC2=O)CC(C)C

InChI

InChI=1S/C22H30N4O5/c1-12(2)10-25-17-20(26(11-13(3)4)22(28)24-21(17)27)23-19(25)14-8-15(29-5)18(31-7)16(9-14)30-6/h8-9,12-13H,10-11H2,1-7H3,(H,24,27,28)