3-(pyridin-2-ylmethyl)-2-sulfanylidene-7H-purin-6-one

Systemtic Name: 3-(pyridin-2-ylmethyl)-2-sulfanylidene-7H-purin-6-one Openeye Name: 3-(2-pyridylmethyl)-2-thioxo-7H-purin-6-one CAS Name: 3-(2-pyridinylmethyl)-2-sulfanylidene-7H-purin-6-one IUPAC Name: 3-(pyridin-2-ylmethyl)-2-sulfanylidene-7H-purin-6-one Traditional Name: 3-(2-pyridylmethyl)-2-thioxo-7H-purin-6-one Formula: C11H9N5OS MolecularWeight: 259.28706

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CN2C3=C(C(=O)NC2=S)NC=N3

Isomeric SMILES

C1=CC=NC(=C1)CN2C3=C(C(=O)NC2=S)NC=N3

InChI

InChI=1S/C11H9N5OS/c17-10-8-9(14-6-13-8)16(11(18)15-10)5-7-3-1-2-4-12-7/h1-4,6H,5H2,(H,13,14)(H,15,17,18)