3-(phenylmethyl)-6-sulfanylidene-7H-purin-2-one

Systemtic Name: 3-(phenylmethyl)-6-sulfanylidene-7H-purin-2-one Openeye Name: 3-benzyl-6-thioxo-7H-purin-2-one CAS Name: 3-(phenylmethyl)-6-sulfanylidene-7H-purin-2-one IUPAC Name: 3-benzyl-6-sulfanylidene-7H-purin-2-one Traditional Name: 3-benzyl-6-thioxo-7H-purin-2-one Formula: C12H10N4OS MolecularWeight: 258.299

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10N4OS/c17-12-15-11(18)9-10(14-7-13-9)16(12)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,13,14)(H,15,17,18)