7-[3-(4-chlorophenyl)sulfanyl-2-methyl-propyl]-3-methyl-8-morpholin-4-yl-purine-2,6-dione

Systemtic Name: 7-[3-(4-chlorophenyl)sulfanyl-2-methyl-propyl]-3-methyl-8-morpholin-4-yl-purine-2,6-dione Openeye Name: 7-[3-(4-chlorophenyl)sulfanyl-2-methyl-propyl]-3-methyl-8-morpholino-purine-2,6-dione CAS Name: 7-[3-[(4-chlorophenyl)thio]-2-methylpropyl]-3-methyl-8-(4-morpholinyl)purine-2,6-dione IUPAC Name: 7-[3-(4-chlorophenyl)sulfanyl-2-methylpropyl]-3-methyl-8-morpholin-4-ylpurine-2,6-dione Traditional Name: 7-[3-[(4-chlorophenyl)thio]-2-methyl-propyl]-3-methyl-8-morpholino-xanthine Formula: C20H24ClN5O3S MolecularWeight: 449.95426

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C2=C(N=C1N3CCOCC3)N(C(=O)NC2=O)C)CSC4=CC=C(C=C4)Cl

Isomeric SMILES

CC(CN1C2=C(N=C1N3CCOCC3)N(C(=O)NC2=O)C)CSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H24ClN5O3S/c1-13(12-30-15-5-3-14(21)4-6-15)11-26-16-17(24(2)20(28)23-18(16)27)22-19(26)25-7-9-29-10-8-25/h3-6,13H,7-12H2,1-2H3,(H,23,27,28)