3-methyl-7-[(2S)-3-naphthalen-1-yloxy-2-oxidanyl-propyl]-8-sulfanylidene-9H-purine-2,6-dione

Systemtic Name: 3-methyl-7-[(2S)-3-naphthalen-1-yloxy-2-oxidanyl-propyl]-8-sulfanylidene-9H-purine-2,6-dione Openeye Name: 7-[(2S)-2-hydroxy-3-(1-naphthyloxy)propyl]-3-methyl-8-thioxo-9H-purine-2,6-dione CAS Name: 7-[(2S)-2-hydroxy-3-(1-naphthalenyloxy)propyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione IUPAC Name: 7-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione Traditional Name: 7-[(2S)-2-hydroxy-3-(1-naphthoxy)propyl]-3-methyl-8-thioxo-9H-purine-2,6-quinone Formula: C19H18N4O4S MolecularWeight: 398.43562

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=S)N2)CC(COC3=CC=CC4=CC=CC=C43)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=S)N2)C[C@@H](COC3=CC=CC4=CC=CC=C43)O

InChI

InChI=1S/C19H18N4O4S/c1-22-16-15(17(25)21-18(22)26)23(19(28)20-16)9-12(24)10-27-14-8-4-6-11-5-2-3-7-13(11)14/h2-8,12,24H,9-10H2,1H3,(H,20,28)(H,21,25,26)/t12-/m0/s1