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

Systemtic Name: 7-[2-(4-chlorophenyl)sulfanylethyl]-3-methyl-8-morpholin-4-yl-purine-2,6-dione Openeye Name: 7-[2-(4-chlorophenyl)sulfanylethyl]-3-methyl-8-morpholino-purine-2,6-dione CAS Name: 7-[2-[(4-chlorophenyl)thio]ethyl]-3-methyl-8-(4-morpholinyl)purine-2,6-dione IUPAC Name: 7-[2-(4-chlorophenyl)sulfanylethyl]-3-methyl-8-morpholin-4-ylpurine-2,6-dione Traditional Name: 7-[2-[(4-chlorophenyl)thio]ethyl]-3-methyl-8-morpholino-xanthine Formula: C18H20ClN5O3S MolecularWeight: 421.9011

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCOCC3)CCSC4=CC=C(C=C4)Cl

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCOCC3)CCSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C18H20ClN5O3S/c1-22-15-14(16(25)21-18(22)26)24(17(20-15)23-6-9-27-10-7-23)8-11-28-13-4-2-12(19)3-5-13/h2-5H,6-11H2,1H3,(H,21,25,26)