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

Systemtic Name: 7-[3-(4-ethylphenoxy)-2-oxidanyl-propyl]-3-methyl-8-(3-methylbutylsulfanyl)purine-2,6-dione Openeye Name: 7-[3-(4-ethylphenoxy)-2-hydroxy-propyl]-8-isopentylsulfanyl-3-methyl-purine-2,6-dione CAS Name: 7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-8-(3-methylbutylthio)purine-2,6-dione IUPAC Name: 7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-8-(3-methylbutylsulfanyl)purine-2,6-dione Traditional Name: 7-[3-(4-ethylphenoxy)-2-hydroxy-propyl]-8-(isoamylthio)-3-methyl-xanthine Formula: C22H30N4O4S MolecularWeight: 446.563

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC(CN2C3=C(N=C2SCCC(C)C)N(C(=O)NC3=O)C)O

Isomeric SMILES

CCC1=CC=C(C=C1)OCC(CN2C3=C(N=C2SCCC(C)C)N(C(=O)NC3=O)C)O

InChI

InChI=1S/C22H30N4O4S/c1-5-15-6-8-17(9-7-15)30-13-16(27)12-26-18-19(25(4)21(29)24-20(18)28)23-22(26)31-11-10-14(2)3/h6-9,14,16,27H,5,10-13H2,1-4H3,(H,24,28,29)