3,7-bis(2-methylpropyl)-1-(phenylmethyl)purine-2,6-dione

Systemtic Name: 3,7-bis(2-methylpropyl)-1-(phenylmethyl)purine-2,6-dione Openeye Name: 1-benzyl-3,7-diisobutyl-purine-2,6-dione CAS Name: 3,7-bis(2-methylpropyl)-1-(phenylmethyl)purine-2,6-dione IUPAC Name: 1-benzyl-3,7-bis(2-methylpropyl)purine-2,6-dione Traditional Name: 1-benzyl-3,7-diisobutyl-xanthine Formula: C20H26N4O2 MolecularWeight: 354.44604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=NC2=C1C(=O)N(C(=O)N2CC(C)C)CC3=CC=CC=C3

Isomeric SMILES

CC(C)CN1C=NC2=C1C(=O)N(C(=O)N2CC(C)C)CC3=CC=CC=C3

InChI

InChI=1S/C20H26N4O2/c1-14(2)10-22-13-21-18-17(22)19(25)24(12-16-8-6-5-7-9-16)20(26)23(18)11-15(3)4/h5-9,13-15H,10-12H2,1-4H3