1,3-dimethyl-7-(4-oxidanylidene-4-phenyl-butyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(4-oxidanylidene-4-phenyl-butyl)purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(4-oxo-4-phenyl-butyl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-(4-oxo-4-phenylbutyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(4-oxo-4-phenylbutyl)purine-2,6-dione Traditional Name: 7-(4-keto-4-phenyl-butyl)-1,3-dimethyl-xanthine Formula: C17H18N4O3 MolecularWeight: 326.34982

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)C3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H18N4O3/c1-19-15-14(16(23)20(2)17(19)24)21(11-18-15)10-6-9-13(22)12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10H2,1-2H3