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

Systemtic Name: 7-(2-methylpropyl)-1-(2-phenoxyethyl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-isobutyl-1-(2-phenoxyethyl)purine-2,6-dione CAS Name: 7-(2-methylpropyl)-1-(2-phenoxyethyl)-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-(2-methylpropyl)-1-(2-phenoxyethyl)purine-2,6-dione Traditional Name: 3-benzyl-7-isobutyl-1-(2-phenoxyethyl)xanthine Formula: C24H26N4O3 MolecularWeight: 418.48824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CCOC4=CC=CC=C4

Isomeric SMILES

CC(C)CN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CCOC4=CC=CC=C4

InChI

InChI=1S/C24H26N4O3/c1-18(2)15-26-17-25-22-21(26)23(29)27(13-14-31-20-11-7-4-8-12-20)24(30)28(22)16-19-9-5-3-6-10-19/h3-12,17-18H,13-16H2,1-2H3