1,3-dimethyl-8-morpholin-4-yl-7-(2-pyrimidin-2-ylsulfanylethyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-morpholin-4-yl-7-(2-pyrimidin-2-ylsulfanylethyl)purine-2,6-dione Openeye Name: 1,3-dimethyl-8-morpholino-7-(2-pyrimidin-2-ylsulfanylethyl)purine-2,6-dione CAS Name: 1,3-dimethyl-8-(4-morpholinyl)-7-[2-(2-pyrimidinylthio)ethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-morpholin-4-yl-7-(2-pyrimidin-2-ylsulfanylethyl)purine-2,6-dione Traditional Name: 1,3-dimethyl-8-morpholino-7-[2-(2-pyrimidylthio)ethyl]xanthine Formula: C17H21N7O3S MolecularWeight: 403.45874

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCOCC3)CCSC4=NC=CC=N4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCOCC3)CCSC4=NC=CC=N4

InChI

InChI=1S/C17H21N7O3S/c1-21-13-12(14(25)22(2)17(21)26)24(8-11-28-15-18-4-3-5-19-15)16(20-13)23-6-9-27-10-7-23/h3-5H,6-11H2,1-2H3