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

Systemtic Name: 3-methyl-7-[(2S)-2-oxidanyl-3-phenoxy-propyl]-8-sulfanylidene-9H-purine-2,6-dione Openeye Name: 7-[(2S)-2-hydroxy-3-phenoxy-propyl]-3-methyl-8-thioxo-9H-purine-2,6-dione CAS Name: 7-[(2S)-2-hydroxy-3-phenoxypropyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione IUPAC Name: 7-[(2S)-2-hydroxy-3-phenoxypropyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione Traditional Name: 7-[(2S)-2-hydroxy-3-phenoxy-propyl]-3-methyl-8-thioxo-9H-purine-2,6-quinone Formula: C15H16N4O4S MolecularWeight: 348.37694

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=S)N2)CC(COC3=CC=CC=C3)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=S)N2)C[C@@H](COC3=CC=CC=C3)O

InChI

InChI=1S/C15H16N4O4S/c1-18-12-11(13(21)17-14(18)22)19(15(24)16-12)7-9(20)8-23-10-5-3-2-4-6-10/h2-6,9,20H,7-8H2,1H3,(H,16,24)(H,17,21,22)/t9-/m0/s1