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

Systemtic Name: 1-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-2-sulfanylidene-5H-pyrrolo[3,2-d]pyrimidin-4-one Openeye Name: 1-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-2-thioxo-5H-pyrrolo[3,2-d]pyrimidin-4-one CAS Name: 1-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-2-sulfanylidene-5H-pyrrolo[3,2-d]pyrimidin-4-one IUPAC Name: 1-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-2-sulfanylidene-5H-pyrrolo[3,2-d]pyrimidin-4-one Traditional Name: 1-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-2-thioxo-5H-pyrrolo[3,2-d]pyrimidin-4-one Formula: C16H15N5OS MolecularWeight: 325.3882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)NC(=N2)CN3C4=C(C(=O)NC3=S)NC=C4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)NC(=N2)CN3C4=C(C(=O)NC3=S)NC=C4)C

InChI

InChI=1S/C16H15N5OS/c1-8-3-4-10-13(9(8)2)19-12(18-10)7-21-11-5-6-17-14(11)15(22)20-16(21)23/h3-6,17H,7H2,1-2H3,(H,18,19)(H,20,22,23)