7-[(2S)-3-(4-ethylphenoxy)-2-oxidanyl-propyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione

Systemtic Name: 7-[(2S)-3-(4-ethylphenoxy)-2-oxidanyl-propyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione Openeye Name: 7-[(2S)-3-(4-ethylphenoxy)-2-hydroxy-propyl]-3-methyl-8-thioxo-9H-purine-2,6-dione CAS Name: 7-[(2S)-3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione IUPAC Name: 7-[(2S)-3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione Traditional Name: 7-[(2S)-3-(4-ethylphenoxy)-2-hydroxy-propyl]-3-methyl-8-thioxo-9H-purine-2,6-quinone Formula: C17H20N4O4S MolecularWeight: 376.4301

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC(CN2C3=C(NC2=S)N(C(=O)NC3=O)C)O

Isomeric SMILES

CCC1=CC=C(C=C1)OC[C@H](CN2C3=C(NC2=S)N(C(=O)NC3=O)C)O

InChI

InChI=1S/C17H20N4O4S/c1-3-10-4-6-12(7-5-10)25-9-11(22)8-21-13-14(18-17(21)26)20(2)16(24)19-15(13)23/h4-7,11,22H,3,8-9H2,1-2H3,(H,18,26)(H,19,23,24)/t11-/m0/s1