2-azanyl-9-[5-(1-benzothiophen-2-ylmethoxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[5-(1-benzothiophen-2-ylmethoxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3H-purin-6-one Openeye Name: 2-amino-9-[5-(benzothiophen-2-ylmethoxymethyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-3H-purin-6-one CAS Name: 2-amino-9-[5-(1-benzothiophen-2-ylmethoxymethyl)-3,4-dihydroxy-2-oxolanyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[5-(1-benzothiophen-2-ylmethoxymethyl)-3,4-dihydroxyoxolan-2-yl]-3H-purin-6-one Traditional Name: 2-amino-9-[5-(benzothiophen-2-ylmethoxymethyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-3H-purin-6-one Formula: C19H19N5O5S MolecularWeight: 429.44966

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(S2)COCC3C(C(C(O3)N4C=NC5=C4NC(=NC5=O)N)O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(S2)COCC3C(C(C(O3)N4C=NC5=C4NC(=NC5=O)N)O)O

InChI

InChI=1S/C19H19N5O5S/c20-19-22-16-13(17(27)23-19)21-8-24(16)18-15(26)14(25)11(29-18)7-28-6-10-5-9-3-1-2-4-12(9)30-10/h1-5,8,11,14-15,18,25-26H,6-7H2,(H3,20,22,23,27)