1,3-dimethyl-8-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-7-propyl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-7-propyl-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-(2-morpholino-2-oxo-ethyl)sulfanyl-7-propyl-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[[2-(4-morpholinyl)-2-oxoethyl]thio]-7-propylpurine-2,6-dione IUPAC Name: 1,3-dimethyl-8-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-7-propylpurine-2,6-dione Traditional Name: 8-[(2-keto-2-morpholino-ethyl)thio]-1,3-dimethyl-7-propyl-xanthine Formula: C16H23N5O4S MolecularWeight: 381.44992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1SCC(=O)N3CCOCC3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCN1C2=C(N=C1SCC(=O)N3CCOCC3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C16H23N5O4S/c1-4-5-21-12-13(18(2)16(24)19(3)14(12)23)17-15(21)26-10-11(22)20-6-8-25-9-7-20/h4-10H2,1-3H3