8-(2,6-dimethylmorpholin-4-yl)-3-methyl-7-(2-methyl-3-phenylsulfanyl-propyl)purine-2,6-dione

Systemtic Name: 8-(2,6-dimethylmorpholin-4-yl)-3-methyl-7-(2-methyl-3-phenylsulfanyl-propyl)purine-2,6-dione Openeye Name: 8-(2,6-dimethylmorpholin-4-yl)-3-methyl-7-(2-methyl-3-phenylsulfanyl-propyl)purine-2,6-dione CAS Name: 8-(2,6-dimethyl-4-morpholinyl)-3-methyl-7-[2-methyl-3-(phenylthio)propyl]purine-2,6-dione IUPAC Name: 8-(2,6-dimethylmorpholin-4-yl)-3-methyl-7-(2-methyl-3-phenylsulfanylpropyl)purine-2,6-dione Traditional Name: 8-(2,6-dimethylmorpholino)-3-methyl-7-[2-methyl-3-(phenylthio)propyl]xanthine Formula: C22H29N5O3S MolecularWeight: 443.56236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)C2=NC3=C(N2CC(C)CSC4=CC=CC=C4)C(=O)NC(=O)N3C

Isomeric SMILES

CC1CN(CC(O1)C)C2=NC3=C(N2CC(C)CSC4=CC=CC=C4)C(=O)NC(=O)N3C

InChI

InChI=1S/C22H29N5O3S/c1-14(13-31-17-8-6-5-7-9-17)10-27-18-19(25(4)22(29)24-20(18)28)23-21(27)26-11-15(2)30-16(3)12-26/h5-9,14-16H,10-13H2,1-4H3,(H,24,28,29)