3-methyl-7-[(2R)-2-naphthalen-1-yloxy-2-oxidanyl-ethyl]-8-propylsulfanyl-purine-2,6-dione

Systemtic Name: 3-methyl-7-[(2R)-2-naphthalen-1-yloxy-2-oxidanyl-ethyl]-8-propylsulfanyl-purine-2,6-dione Openeye Name: 7-[(2R)-2-hydroxy-2-(1-naphthyloxy)ethyl]-3-methyl-8-propylsulfanyl-purine-2,6-dione CAS Name: 7-[(2R)-2-hydroxy-2-(1-naphthalenyloxy)ethyl]-3-methyl-8-(propylthio)purine-2,6-dione IUPAC Name: 7-[(2R)-2-hydroxy-2-naphthalen-1-yloxyethyl]-3-methyl-8-propylsulfanylpurine-2,6-dione Traditional Name: 7-[(2R)-2-hydroxy-2-(1-naphthoxy)ethyl]-3-methyl-8-(propylthio)xanthine Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=C(N1CC(O)OC3=CC=CC4=CC=CC=C43)C(=O)NC(=O)N2C

Isomeric SMILES

CCCSC1=NC2=C(N1C[C@H](O)OC3=CC=CC4=CC=CC=C43)C(=O)NC(=O)N2C

InChI

InChI=1S/C21H22N4O4S/c1-3-11-30-21-22-18-17(19(27)23-20(28)24(18)2)25(21)12-16(26)29-15-10-6-8-13-7-4-5-9-14(13)15/h4-10,16,26H,3,11-12H2,1-2H3,(H,23,27,28)/t16-/m1/s1