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

Systemtic Name: 7-(2-methoxyethyl)-1-(2-phenoxyethyl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-(2-methoxyethyl)-1-(2-phenoxyethyl)purine-2,6-dione CAS Name: 7-(2-methoxyethyl)-1-(2-phenoxyethyl)-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-(2-methoxyethyl)-1-(2-phenoxyethyl)purine-2,6-dione Traditional Name: 3-benzyl-7-(2-methoxyethyl)-1-(2-phenoxyethyl)xanthine Formula: C23H24N4O4 MolecularWeight: 420.46106

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CCOC4=CC=CC=C4

Isomeric SMILES

COCCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CCOC4=CC=CC=C4

InChI

InChI=1S/C23H24N4O4/c1-30-14-12-25-17-24-21-20(25)22(28)26(13-15-31-19-10-6-3-7-11-19)23(29)27(21)16-18-8-4-2-5-9-18/h2-11,17H,12-16H2,1H3