2-azanyl-9-[5-[(4-bromanylthiophen-2-yl)methoxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[5-[(4-bromanylthiophen-2-yl)methoxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]-3H-purin-6-one Openeye Name: 2-amino-9-[5-[(4-bromo-2-thienyl)methoxymethyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]-3H-purin-6-one CAS Name: 2-amino-9-[5-[(4-bromo-2-thiophenyl)methoxymethyl]-3,4-dihydroxy-2-oxolanyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[5-[(4-bromothiophen-2-yl)methoxymethyl]-3,4-dihydroxyoxolan-2-yl]-3H-purin-6-one Traditional Name: 2-amino-9-[5-[(4-bromo-2-thienyl)methoxymethyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]-3H-purin-6-one Formula: C15H16BrN5O5S MolecularWeight: 458.28704

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(SC=C1Br)COCC2C(C(C(O2)N3C=NC4=C3NC(=NC4=O)N)O)O

Isomeric SMILES

C1=C(SC=C1Br)COCC2C(C(C(O2)N3C=NC4=C3NC(=NC4=O)N)O)O

InChI

InChI=1S/C15H16BrN5O5S/c16-6-1-7(27-4-6)2-25-3-8-10(22)11(23)14(26-8)21-5-18-9-12(21)19-15(17)20-13(9)24/h1,4-5,8,10-11,14,22-23H,2-3H2,(H3,17,19,20,24)