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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CCOC4=CC=CC=C4

Isomeric SMILES

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CCOC4=CC=CC=C4

InChI

InChI=1S/C24H26N4O3/c1-2-3-14-26-18-25-22-21(26)23(29)27(15-16-31-20-12-8-5-9-13-20)24(30)28(22)17-19-10-6-4-7-11-19/h4-13,18H,2-3,14-17H2,1H3