2-azanyl-8-[(4-bromanylthiophen-2-yl)methyl]-9-(2-hydroxyethyloxymethyl)-3H-purin-6-one

Systemtic Name: 2-azanyl-8-[(4-bromanylthiophen-2-yl)methyl]-9-(2-hydroxyethyloxymethyl)-3H-purin-6-one Openeye Name: 2-amino-8-[(4-bromo-2-thienyl)methyl]-9-(2-hydroxyethoxymethyl)-3H-purin-6-one CAS Name: 2-amino-8-[(4-bromo-2-thiophenyl)methyl]-9-(2-hydroxyethoxymethyl)-3H-purin-6-one IUPAC Name: 2-amino-8-[(4-bromothiophen-2-yl)methyl]-9-(2-hydroxyethoxymethyl)-3H-purin-6-one Traditional Name: 2-amino-8-[(4-bromo-2-thienyl)methyl]-9-(2-hydroxyethoxymethyl)-3H-purin-6-one Formula: C13H14BrN5O3S MolecularWeight: 400.25096

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(SC=C1Br)CC2=NC3=C(N2COCCO)NC(=NC3=O)N

Isomeric SMILES

C1=C(SC=C1Br)CC2=NC3=C(N2COCCO)NC(=NC3=O)N

InChI

InChI=1S/C13H14BrN5O3S/c14-7-3-8(23-5-7)4-9-16-10-11(17-13(15)18-12(10)21)19(9)6-22-2-1-20/h3,5,20H,1-2,4,6H2,(H3,15,17,18,21)