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

Systemtic Name: 8-(2,6-dimethylmorpholin-4-yl)-3-methyl-7-(2-methyl-3-pyrimidin-2-ylsulfanyl-propyl)purine-2,6-dione Openeye Name: 8-(2,6-dimethylmorpholin-4-yl)-3-methyl-7-(2-methyl-3-pyrimidin-2-ylsulfanyl-propyl)purine-2,6-dione CAS Name: 8-(2,6-dimethyl-4-morpholinyl)-3-methyl-7-[2-methyl-3-(2-pyrimidinylthio)propyl]purine-2,6-dione IUPAC Name: 8-(2,6-dimethylmorpholin-4-yl)-3-methyl-7-(2-methyl-3-pyrimidin-2-ylsulfanylpropyl)purine-2,6-dione Traditional Name: 8-(2,6-dimethylmorpholino)-3-methyl-7-[2-methyl-3-(2-pyrimidylthio)propyl]xanthine Formula: C20H27N7O3S MolecularWeight: 445.53848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)C2=NC3=C(N2CC(C)CSC4=NC=CC=N4)C(=O)NC(=O)N3C

Isomeric SMILES

CC1CN(CC(O1)C)C2=NC3=C(N2CC(C)CSC4=NC=CC=N4)C(=O)NC(=O)N3C

InChI

InChI=1S/C20H27N7O3S/c1-12(11-31-18-21-6-5-7-22-18)8-27-15-16(25(4)20(29)24-17(15)28)23-19(27)26-9-13(2)30-14(3)10-26/h5-7,12-14H,8-11H2,1-4H3,(H,24,28,29)