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

Systemtic Name: 3-methyl-7-[(2S)-3-(3-methylphenoxy)-2-oxidanyl-propyl]-8-sulfanylidene-9H-purine-2,6-dione Openeye Name: 7-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-8-thioxo-9H-purine-2,6-dione CAS Name: 7-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione IUPAC Name: 7-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione Traditional Name: 7-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-8-thioxo-9H-purine-2,6-quinone Formula: C16H18N4O4S MolecularWeight: 362.40352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(CN2C3=C(NC2=S)N(C(=O)NC3=O)C)O

Isomeric SMILES

CC1=CC(=CC=C1)OC[C@H](CN2C3=C(NC2=S)N(C(=O)NC3=O)C)O

InChI

InChI=1S/C16H18N4O4S/c1-9-4-3-5-11(6-9)24-8-10(21)7-20-12-13(17-16(20)25)19(2)15(23)18-14(12)22/h3-6,10,21H,7-8H2,1-2H3,(H,17,25)(H,18,22,23)/t10-/m0/s1