2-(1H-benzimidazol-2-ylmethylsulfanyl)-1H-pteridin-4-one

Systemtic Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-1H-pteridin-4-one Openeye Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-1H-pteridin-4-one CAS Name: 2-(1H-benzimidazol-2-ylmethylthio)-1H-pteridin-4-one IUPAC Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-1H-pteridin-4-one Traditional Name: 2-(1H-benzimidazol-2-ylmethylthio)-1H-pteridin-4-one Formula: C14H10N6OS MolecularWeight: 310.3338

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)CSC3=NC(=O)C4=NC=CN=C4N3

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)CSC3=NC(=O)C4=NC=CN=C4N3

InChI

InChI=1S/C14H10N6OS/c21-13-11-12(16-6-5-15-11)19-14(20-13)22-7-10-17-8-3-1-2-4-9(8)18-10/h1-6H,7H2,(H,17,18)(H,16,19,20,21)