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

Systemtic Name: 7-ethyl-1-(2-phenoxyethyl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-ethyl-1-(2-phenoxyethyl)purine-2,6-dione CAS Name: 7-ethyl-1-(2-phenoxyethyl)-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-ethyl-1-(2-phenoxyethyl)purine-2,6-dione Traditional Name: 3-benzyl-7-ethyl-1-(2-phenoxyethyl)xanthine Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O3/c1-2-24-16-23-20-19(24)21(27)25(13-14-29-18-11-7-4-8-12-18)22(28)26(20)15-17-9-5-3-6-10-17/h3-12,16H,2,13-15H2,1H3