3-(1H-benzimidazol-2-ylmethyl)-2-sulfanylidene-7H-purin-6-one

Systemtic Name: 3-(1H-benzimidazol-2-ylmethyl)-2-sulfanylidene-7H-purin-6-one Openeye Name: 3-(1H-benzimidazol-2-ylmethyl)-2-thioxo-7H-purin-6-one CAS Name: 3-(1H-benzimidazol-2-ylmethyl)-2-sulfanylidene-7H-purin-6-one IUPAC Name: 3-(1H-benzimidazol-2-ylmethyl)-2-sulfanylidene-7H-purin-6-one Traditional Name: 3-(1H-benzimidazol-2-ylmethyl)-2-thioxo-7H-purin-6-one Formula: C13H10N6OS MolecularWeight: 298.3231

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)CN3C4=C(C(=O)NC3=S)NC=N4

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)CN3C4=C(C(=O)NC3=S)NC=N4

InChI

InChI=1S/C13H10N6OS/c20-12-10-11(15-6-14-10)19(13(21)18-12)5-9-16-7-3-1-2-4-8(7)17-9/h1-4,6H,5H2,(H,14,15)(H,16,17)(H,18,20,21)