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

Systemtic Name: 2-azanyl-8-[(4-bromanylthiophen-2-yl)methyl]-9-(ethoxymethyl)-3H-purin-6-one Openeye Name: 2-amino-8-[(4-bromo-2-thienyl)methyl]-9-(ethoxymethyl)-3H-purin-6-one CAS Name: 2-amino-8-[(4-bromo-2-thiophenyl)methyl]-9-(ethoxymethyl)-3H-purin-6-one IUPAC Name: 2-amino-8-[(4-bromothiophen-2-yl)methyl]-9-(ethoxymethyl)-3H-purin-6-one Traditional Name: 2-amino-8-[(4-bromo-2-thienyl)methyl]-9-(ethoxymethyl)-3H-purin-6-one Formula: C13H14BrN5O2S MolecularWeight: 384.25156

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Descriptors Computed from Structure

Canonical SMILES:

CCOCN1C(=NC2=C1NC(=NC2=O)N)CC3=CC(=CS3)Br

Isomeric SMILES

CCOCN1C(=NC2=C1NC(=NC2=O)N)CC3=CC(=CS3)Br

InChI

InChI=1S/C13H14BrN5O2S/c1-2-21-6-19-9(4-8-3-7(14)5-22-8)16-10-11(19)17-13(15)18-12(10)20/h3,5H,2,4,6H2,1H3,(H3,15,17,18,20)