1,3-dimethyl-7-[3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]purine-2,6-dione Traditional Name: 7-[3-(2-keto-3H-benzimidazol-1-yl)propyl]-1,3-dimethyl-xanthine Formula: C17H18N6O3 MolecularWeight: 354.36322

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCN3C4=CC=CC=C4NC3=O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCN3C4=CC=CC=C4NC3=O

InChI

InChI=1S/C17H18N6O3/c1-20-14-13(15(24)21(2)17(20)26)22(10-18-14)8-5-9-23-12-7-4-3-6-11(12)19-16(23)25/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,19,25)