9-[3-(2-hydroxyethylsulfanyl)-2-oxidanyl-propyl]-2-phenylazanyl-3H-purin-6-one

Systemtic Name: 9-[3-(2-hydroxyethylsulfanyl)-2-oxidanyl-propyl]-2-phenylazanyl-3H-purin-6-one Openeye Name: 2-anilino-9-[2-hydroxy-3-(2-hydroxyethylsulfanyl)propyl]-3H-purin-6-one CAS Name: 2-anilino-9-[2-hydroxy-3-(2-hydroxyethylthio)propyl]-3H-purin-6-one IUPAC Name: 2-anilino-9-[2-hydroxy-3-(2-hydroxyethylsulfanyl)propyl]-3H-purin-6-one Traditional Name: 2-anilino-9-[2-hydroxy-3-(2-hydroxyethylthio)propyl]-3H-purin-6-one Formula: C16H19N5O3S MolecularWeight: 361.41876

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=O)C3=C(N2)N(C=N3)CC(CSCCO)O

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=O)C3=C(N2)N(C=N3)CC(CSCCO)O

InChI

InChI=1S/C16H19N5O3S/c22-6-7-25-9-12(23)8-21-10-17-13-14(21)19-16(20-15(13)24)18-11-4-2-1-3-5-11/h1-5,10,12,22-23H,6-9H2,(H2,18,19,20,24)