2-[(2-azanyl-7H-purin-6-yl)sulfanylmethyl]-5-oxidanyl-pyran-4-one

Systemtic Name: 2-[(2-azanyl-7H-purin-6-yl)sulfanylmethyl]-5-oxidanyl-pyran-4-one Openeye Name: 2-[(2-amino-7H-purin-6-yl)sulfanylmethyl]-5-hydroxy-pyran-4-one CAS Name: 2-[[(2-amino-7H-purin-6-yl)thio]methyl]-5-hydroxy-4-pyranone IUPAC Name: 2-[(2-amino-7H-purin-6-yl)sulfanylmethyl]-5-hydroxypyran-4-one Traditional Name: 2-[[(2-amino-7H-purin-6-yl)thio]methyl]-5-hydroxy-pyran-4-one Formula: C11H9N5O3S MolecularWeight: 291.28586

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(OC=C(C1=O)O)CSC2=NC(=NC3=C2NC=N3)N

Isomeric SMILES

C1=C(OC=C(C1=O)O)CSC2=NC(=NC3=C2NC=N3)N

InChI

InChI=1S/C11H9N5O3S/c12-11-15-9-8(13-4-14-9)10(16-11)20-3-5-1-6(17)7(18)2-19-5/h1-2,4,18H,3H2,(H3,12,13,14,15,16)