7-[(2R)-3-(4-ethylphenoxy)-2-oxidanyl-propyl]-3-methyl-8-propylsulfanyl-purine-2,6-dione

Systemtic Name: 7-[(2R)-3-(4-ethylphenoxy)-2-oxidanyl-propyl]-3-methyl-8-propylsulfanyl-purine-2,6-dione Openeye Name: 7-[(2R)-3-(4-ethylphenoxy)-2-hydroxy-propyl]-3-methyl-8-propylsulfanyl-purine-2,6-dione CAS Name: 7-[(2R)-3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-8-(propylthio)purine-2,6-dione IUPAC Name: 7-[(2R)-3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-8-propylsulfanylpurine-2,6-dione Traditional Name: 7-[(2R)-3-(4-ethylphenoxy)-2-hydroxy-propyl]-3-methyl-8-(propylthio)xanthine Formula: C20H26N4O4S MolecularWeight: 418.50984

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=C(N1CC(COC3=CC=C(C=C3)CC)O)C(=O)NC(=O)N2C

Isomeric SMILES

CCCSC1=NC2=C(N1C[C@H](COC3=CC=C(C=C3)CC)O)C(=O)NC(=O)N2C

InChI

InChI=1S/C20H26N4O4S/c1-4-10-29-20-21-17-16(18(26)22-19(27)23(17)3)24(20)11-14(25)12-28-15-8-6-13(5-2)7-9-15/h6-9,14,25H,4-5,10-12H2,1-3H3,(H,22,26,27)/t14-/m1/s1