7-[(3-bromophenyl)methyl]-3-methyl-2-(2-oxidanylpropylsulfanyl)-9H-purine-6,8-dione

Systemtic Name: 7-[(3-bromophenyl)methyl]-3-methyl-2-(2-oxidanylpropylsulfanyl)-9H-purine-6,8-dione Openeye Name: 7-[(3-bromophenyl)methyl]-2-(2-hydroxypropylsulfanyl)-3-methyl-9H-purine-6,8-dione CAS Name: 7-[(3-bromophenyl)methyl]-2-(2-hydroxypropylthio)-3-methyl-9H-purine-6,8-dione IUPAC Name: 7-[(3-bromophenyl)methyl]-2-(2-hydroxypropylsulfanyl)-3-methyl-9H-purine-6,8-dione Traditional Name: 7-(3-bromobenzyl)-2-(2-hydroxypropylthio)-3-methyl-9H-purine-6,8-quinone Formula: C16H17BrN4O3S MolecularWeight: 425.30018

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=NC(=O)C2=C(N1C)NC(=O)N2CC3=CC(=CC=C3)Br)O

Isomeric SMILES

CC(CSC1=NC(=O)C2=C(N1C)NC(=O)N2CC3=CC(=CC=C3)Br)O

InChI

InChI=1S/C16H17BrN4O3S/c1-9(22)8-25-16-19-14(23)12-13(20(16)2)18-15(24)21(12)7-10-4-3-5-11(17)6-10/h3-6,9,22H,7-8H2,1-2H3,(H,18,24)