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

Systemtic Name: 3-methyl-8-morpholin-4-yl-7-(3-phenylsulfanylpropyl)purine-2,6-dione Openeye Name: 3-methyl-8-morpholino-7-(3-phenylsulfanylpropyl)purine-2,6-dione CAS Name: 3-methyl-8-(4-morpholinyl)-7-[3-(phenylthio)propyl]purine-2,6-dione IUPAC Name: 3-methyl-8-morpholin-4-yl-7-(3-phenylsulfanylpropyl)purine-2,6-dione Traditional Name: 3-methyl-8-morpholino-7-[3-(phenylthio)propyl]xanthine Formula: C19H23N5O3S MolecularWeight: 401.48262

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCOCC3)CCCSC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCOCC3)CCCSC4=CC=CC=C4

InChI

InChI=1S/C19H23N5O3S/c1-22-16-15(17(25)21-19(22)26)24(18(20-16)23-9-11-27-12-10-23)8-5-13-28-14-6-3-2-4-7-14/h2-4,6-7H,5,8-13H2,1H3,(H,21,25,26)