3-(2-chlorophenyl)-1-cyclopropyl-7-(1-phenylethyl)purine-2,6-dione

Systemtic Name: 3-(2-chlorophenyl)-1-cyclopropyl-7-(1-phenylethyl)purine-2,6-dione Openeye Name: 3-(2-chlorophenyl)-1-cyclopropyl-7-(1-phenylethyl)purine-2,6-dione CAS Name: 3-(2-chlorophenyl)-1-cyclopropyl-7-(1-phenylethyl)purine-2,6-dione IUPAC Name: 3-(2-chlorophenyl)-1-cyclopropyl-7-(1-phenylethyl)purine-2,6-dione Traditional Name: 3-(2-chlorophenyl)-1-cyclopropyl-7-(1-phenylethyl)xanthine Formula: C22H19ClN4O2 MolecularWeight: 406.86486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2C=NC3=C2C(=O)N(C(=O)N3C4=CC=CC=C4Cl)C5CC5

Isomeric SMILES

CC(C1=CC=CC=C1)N2C=NC3=C2C(=O)N(C(=O)N3C4=CC=CC=C4Cl)C5CC5

InChI

InChI=1S/C22H19ClN4O2/c1-14(15-7-3-2-4-8-15)25-13-24-20-19(25)21(28)26(16-11-12-16)22(29)27(20)18-10-6-5-9-17(18)23/h2-10,13-14,16H,11-12H2,1H3