2-(1H-benzimidazol-2-ylmethylsulfanyl)-6-(1,3-benzodioxol-5-yl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-6-(1,3-benzodioxol-5-yl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-6-(1,3-benzodioxol-5-yl)-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 2-(1H-benzimidazol-2-ylmethylthio)-6-(1,3-benzodioxol-5-yl)-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-6-(1,3-benzodioxol-5-yl)-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 2-(1H-benzimidazol-2-ylmethylthio)-6-(1,3-benzodioxol-5-yl)-4-keto-1H-pyrimidine-5-carbonitrile Formula: C20H13N5O3S MolecularWeight: 403.41392

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=C(C(=O)N=C(N3)SCC4=NC5=CC=CC=C5N4)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=C(C(=O)N=C(N3)SCC4=NC5=CC=CC=C5N4)C#N

InChI

InChI=1S/C20H13N5O3S/c21-8-12-18(11-5-6-15-16(7-11)28-10-27-15)24-20(25-19(12)26)29-9-17-22-13-3-1-2-4-14(13)23-17/h1-7H,9-10H2,(H,22,23)(H,24,25,26)