7-(2-methoxyethyl)-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 7-(2-methoxyethyl)-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-(2-methoxyethyl)-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)purine-2,6-dione CAS Name: 7-(2-methoxyethyl)-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-(2-methoxyethyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)purine-2,6-dione Traditional Name: 3-benzyl-1-(2-keto-2-pyrrolidino-ethyl)-7-(2-methoxyethyl)xanthine Formula: C21H25N5O4 MolecularWeight: 411.4543

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)N4CCCC4

Isomeric SMILES

COCCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)N4CCCC4

InChI

InChI=1S/C21H25N5O4/c1-30-12-11-24-15-22-19-18(24)20(28)26(14-17(27)23-9-5-6-10-23)21(29)25(19)13-16-7-3-2-4-8-16/h2-4,7-8,15H,5-6,9-14H2,1H3