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

Systemtic Name: 7-(2-methoxyethyl)-3-(2-methylpropyl)-1-[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl]purine-2,6-dione Openeye Name: 3-isobutyl-7-(2-methoxyethyl)-1-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]purine-2,6-dione CAS Name: 7-(2-methoxyethyl)-3-(2-methylpropyl)-1-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]purine-2,6-dione IUPAC Name: 7-(2-methoxyethyl)-3-(2-methylpropyl)-1-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]purine-2,6-dione Traditional Name: 3-isobutyl-1-[2-keto-2-(1H-pyrrol-2-yl)ethyl]-7-(2-methoxyethyl)xanthine Formula: C18H23N5O4 MolecularWeight: 373.40632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)N(C1=O)CC(=O)C3=CC=CN3)N(C=N2)CCOC

Isomeric SMILES

CC(C)CN1C2=C(C(=O)N(C1=O)CC(=O)C3=CC=CN3)N(C=N2)CCOC

InChI

InChI=1S/C18H23N5O4/c1-12(2)9-22-16-15(21(11-20-16)7-8-27-3)17(25)23(18(22)26)10-14(24)13-5-4-6-19-13/h4-6,11-12,19H,7-10H2,1-3H3