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

Systemtic Name: 3-methyl-7-(2-methyl-3-pyrimidin-2-ylsulfanyl-propyl)-8-morpholin-4-yl-purine-2,6-dione Openeye Name: 3-methyl-7-(2-methyl-3-pyrimidin-2-ylsulfanyl-propyl)-8-morpholino-purine-2,6-dione CAS Name: 3-methyl-7-[2-methyl-3-(2-pyrimidinylthio)propyl]-8-(4-morpholinyl)purine-2,6-dione IUPAC Name: 3-methyl-7-(2-methyl-3-pyrimidin-2-ylsulfanylpropyl)-8-morpholin-4-ylpurine-2,6-dione Traditional Name: 3-methyl-7-[2-methyl-3-(2-pyrimidylthio)propyl]-8-morpholino-xanthine Formula: C18H23N7O3S MolecularWeight: 417.48532

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C2=C(N=C1N3CCOCC3)N(C(=O)NC2=O)C)CSC4=NC=CC=N4

Isomeric SMILES

CC(CN1C2=C(N=C1N3CCOCC3)N(C(=O)NC2=O)C)CSC4=NC=CC=N4

InChI

InChI=1S/C18H23N7O3S/c1-12(11-29-16-19-4-3-5-20-16)10-25-13-14(23(2)18(27)22-15(13)26)21-17(25)24-6-8-28-9-7-24/h3-5,12H,6-11H2,1-2H3,(H,22,26,27)