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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCOCC3)CCCSC4=NC=CC=N4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCOCC3)CCCSC4=NC=CC=N4

InChI

InChI=1S/C17H21N7O3S/c1-22-13-12(14(25)21-17(22)26)24(16(20-13)23-7-9-27-10-8-23)6-3-11-28-15-18-4-2-5-19-15/h2,4-5H,3,6-11H2,1H3,(H,21,25,26)