1-[(6-chloranyl-1H-benzimidazol-2-yl)methyl]-2-sulfanylidene-5H-pyrrolo[3,2-d]pyrimidin-4-one

Systemtic Name: 1-[(6-chloranyl-1H-benzimidazol-2-yl)methyl]-2-sulfanylidene-5H-pyrrolo[3,2-d]pyrimidin-4-one Openeye Name: 1-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-thioxo-5H-pyrrolo[3,2-d]pyrimidin-4-one CAS Name: 1-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-sulfanylidene-5H-pyrrolo[3,2-d]pyrimidin-4-one IUPAC Name: 1-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-sulfanylidene-5H-pyrrolo[3,2-d]pyrimidin-4-one Traditional Name: 1-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-thioxo-5H-pyrrolo[3,2-d]pyrimidin-4-one Formula: C14H10ClN5OS MolecularWeight: 331.7801

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Cl)NC(=N2)CN3C4=C(C(=O)NC3=S)NC=C4

Isomeric SMILES

C1=CC2=C(C=C1Cl)NC(=N2)CN3C4=C(C(=O)NC3=S)NC=C4

InChI

InChI=1S/C14H10ClN5OS/c15-7-1-2-8-9(5-7)18-11(17-8)6-20-10-3-4-16-12(10)13(21)19-14(20)22/h1-5,16H,6H2,(H,17,18)(H,19,21,22)