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

Systemtic Name: 3-methyl-8-morpholin-4-yl-7-(2-phenylsulfanylethyl)purine-2,6-dione Openeye Name: 3-methyl-8-morpholino-7-(2-phenylsulfanylethyl)purine-2,6-dione CAS Name: 3-methyl-8-(4-morpholinyl)-7-[2-(phenylthio)ethyl]purine-2,6-dione IUPAC Name: 3-methyl-8-morpholin-4-yl-7-(2-phenylsulfanylethyl)purine-2,6-dione Traditional Name: 3-methyl-8-morpholino-7-[2-(phenylthio)ethyl]xanthine Formula: C18H21N5O3S MolecularWeight: 387.45604

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCOCC3)CCSC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCOCC3)CCSC4=CC=CC=C4

InChI

InChI=1S/C18H21N5O3S/c1-21-15-14(16(24)20-18(21)25)23(9-12-27-13-5-3-2-4-6-13)17(19-15)22-7-10-26-11-8-22/h2-6H,7-12H2,1H3,(H,20,24,25)