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

Systemtic Name: 7-(2-methoxyethyl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-(2-methoxyethyl)purine-2,6-dione CAS Name: 7-(2-methoxyethyl)-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-(2-methoxyethyl)purine-2,6-dione Traditional Name: 3-benzyl-7-(2-methoxyethyl)xanthine Formula: C15H16N4O3 MolecularWeight: 300.31254

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3

Isomeric SMILES

COCCN1C=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3

InChI

InChI=1S/C15H16N4O3/c1-22-8-7-18-10-16-13-12(18)14(20)17-15(21)19(13)9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,17,20,21)