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

Systemtic Name: 2-azanyl-8-[(4-bromanylthiophen-2-yl)methyl]-9-(octoxymethyl)-3H-purin-6-one Openeye Name: 2-amino-8-[(4-bromo-2-thienyl)methyl]-9-(octoxymethyl)-3H-purin-6-one CAS Name: 2-amino-8-[(4-bromo-2-thiophenyl)methyl]-9-(octoxymethyl)-3H-purin-6-one IUPAC Name: 2-amino-8-[(4-bromothiophen-2-yl)methyl]-9-(octoxymethyl)-3H-purin-6-one Traditional Name: 2-amino-8-[(4-bromo-2-thienyl)methyl]-9-(octoxymethyl)-3H-purin-6-one Formula: C19H26BrN5O2S MolecularWeight: 468.41104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOCN1C(=NC2=C1NC(=NC2=O)N)CC3=CC(=CS3)Br

Isomeric SMILES

CCCCCCCCOCN1C(=NC2=C1NC(=NC2=O)N)CC3=CC(=CS3)Br

InChI

InChI=1S/C19H26BrN5O2S/c1-2-3-4-5-6-7-8-27-12-25-15(10-14-9-13(20)11-28-14)22-16-17(25)23-19(21)24-18(16)26/h9,11H,2-8,10,12H2,1H3,(H3,21,23,24,26)