8-chloranyl-1,3-dimethyl-7-(3-phenoxypropyl)purine-2,6-dione

Systemtic Name: 8-chloranyl-1,3-dimethyl-7-(3-phenoxypropyl)purine-2,6-dione Openeye Name: 8-chloro-1,3-dimethyl-7-(3-phenoxypropyl)purine-2,6-dione CAS Name: 8-chloro-1,3-dimethyl-7-(3-phenoxypropyl)purine-2,6-dione IUPAC Name: 8-chloro-1,3-dimethyl-7-(3-phenoxypropyl)purine-2,6-dione Traditional Name: 8-chloro-1,3-dimethyl-7-(3-phenoxypropyl)xanthine Formula: C16H17ClN4O3 MolecularWeight: 348.78418

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CCCOC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CCCOC3=CC=CC=C3

InChI

InChI=1S/C16H17ClN4O3/c1-19-13-12(14(22)20(2)16(19)23)21(15(17)18-13)9-6-10-24-11-7-4-3-5-8-11/h3-5,7-8H,6,9-10H2,1-2H3