7-ethyl-1-[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl]-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 7-ethyl-1-[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl]-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-ethyl-1-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]purine-2,6-dione CAS Name: 7-ethyl-1-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-ethyl-1-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]purine-2,6-dione Traditional Name: 3-benzyl-7-ethyl-1-[2-keto-2-(1H-pyrrol-2-yl)ethyl]xanthine Formula: C20H19N5O3 MolecularWeight: 377.39656

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)C4=CC=CN4

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)C4=CC=CN4

InChI

InChI=1S/C20H19N5O3/c1-2-23-13-22-18-17(23)19(27)25(12-16(26)15-9-6-10-21-15)20(28)24(18)11-14-7-4-3-5-8-14/h3-10,13,21H,2,11-12H2,1H3