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

Systemtic Name: 3-methyl-8-morpholin-4-yl-7-(2-pyrimidin-2-ylsulfanylethyl)purine-2,6-dione Openeye Name: 3-methyl-8-morpholino-7-(2-pyrimidin-2-ylsulfanylethyl)purine-2,6-dione CAS Name: 3-methyl-8-(4-morpholinyl)-7-[2-(2-pyrimidinylthio)ethyl]purine-2,6-dione IUPAC Name: 3-methyl-8-morpholin-4-yl-7-(2-pyrimidin-2-ylsulfanylethyl)purine-2,6-dione Traditional Name: 3-methyl-8-morpholino-7-[2-(2-pyrimidylthio)ethyl]xanthine Formula: C16H19N7O3S MolecularWeight: 389.43216

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCOCC3)CCSC4=NC=CC=N4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCOCC3)CCSC4=NC=CC=N4

InChI

InChI=1S/C16H19N7O3S/c1-21-12-11(13(24)20-16(21)25)23(7-10-27-14-17-3-2-4-18-14)15(19-12)22-5-8-26-9-6-22/h2-4H,5-10H2,1H3,(H,20,24,25)