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

Systemtic Name: 7-(3-methylbutyl)-1-(2-phenoxyethyl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-isopentyl-1-(2-phenoxyethyl)purine-2,6-dione CAS Name: 7-(3-methylbutyl)-1-(2-phenoxyethyl)-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-(3-methylbutyl)-1-(2-phenoxyethyl)purine-2,6-dione Traditional Name: 3-benzyl-7-isoamyl-1-(2-phenoxyethyl)xanthine Formula: C25H28N4O3 MolecularWeight: 432.51482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CCOC4=CC=CC=C4

Isomeric SMILES

CC(C)CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CCOC4=CC=CC=C4

InChI

InChI=1S/C25H28N4O3/c1-19(2)13-14-27-18-26-23-22(27)24(30)28(15-16-32-21-11-7-4-8-12-21)25(31)29(23)17-20-9-5-3-6-10-20/h3-12,18-19H,13-17H2,1-2H3