7-[2-(2-chlorophenyl)-2-oxidanylidene-ethyl]-1-cyclopropyl-3-(3-methoxyphenyl)purine-2,6-dione

Systemtic Name: 7-[2-(2-chlorophenyl)-2-oxidanylidene-ethyl]-1-cyclopropyl-3-(3-methoxyphenyl)purine-2,6-dione Openeye Name: 7-[2-(2-chlorophenyl)-2-oxo-ethyl]-1-cyclopropyl-3-(3-methoxyphenyl)purine-2,6-dione CAS Name: 7-[2-(2-chlorophenyl)-2-oxoethyl]-1-cyclopropyl-3-(3-methoxyphenyl)purine-2,6-dione IUPAC Name: 7-[2-(2-chlorophenyl)-2-oxoethyl]-1-cyclopropyl-3-(3-methoxyphenyl)purine-2,6-dione Traditional Name: 7-[2-(2-chlorophenyl)-2-keto-ethyl]-1-cyclopropyl-3-(3-methoxyphenyl)xanthine Formula: C23H19ClN4O4 MolecularWeight: 450.87436

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C3=C(C(=O)N(C2=O)C4CC4)N(C=N3)CC(=O)C5=CC=CC=C5Cl

Isomeric SMILES

COC1=CC=CC(=C1)N2C3=C(C(=O)N(C2=O)C4CC4)N(C=N3)CC(=O)C5=CC=CC=C5Cl

InChI

InChI=1S/C23H19ClN4O4/c1-32-16-6-4-5-15(11-16)27-21-20(22(30)28(23(27)31)14-9-10-14)26(13-25-21)12-19(29)17-7-2-3-8-18(17)24/h2-8,11,13-14H,9-10,12H2,1H3