2,5-bis(azanyl)-3-(6-chloranyl-1H-benzimidazol-2-yl)-7-methylsulfanyl-pyrazolo[1,5-a]pyrimidine-6-carbonitrile

Systemtic Name: 2,5-bis(azanyl)-3-(6-chloranyl-1H-benzimidazol-2-yl)-7-methylsulfanyl-pyrazolo[1,5-a]pyrimidine-6-carbonitrile Openeye Name: 2,5-diamino-3-(6-chloro-1H-benzimidazol-2-yl)-7-methylsulfanyl-pyrazolo[1,5-a]pyrimidine-6-carbonitrile CAS Name: 2,5-diamino-3-(6-chloro-1H-benzimidazol-2-yl)-7-(methylthio)-6-pyrazolo[1,5-a]pyrimidinecarbonitrile IUPAC Name: 2,5-diamino-3-(6-chloro-1H-benzimidazol-2-yl)-7-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile Traditional Name: 2,5-diamino-3-(6-chloro-1H-benzimidazol-2-yl)-7-(methylthio)pyrazolo[1,5-a]pyrimidine-6-carbonitrile Formula: C15H11ClN8S MolecularWeight: 370.81944

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=NC2=C(C(=NN21)N)C3=NC4=C(N3)C=C(C=C4)Cl)N)C#N

Isomeric SMILES

CSC1=C(C(=NC2=C(C(=NN21)N)C3=NC4=C(N3)C=C(C=C4)Cl)N)C#N

InChI

InChI=1S/C15H11ClN8S/c1-25-15-7(5-17)11(18)22-14-10(12(19)23-24(14)15)13-20-8-3-2-6(16)4-9(8)21-13/h2-4H,1H3,(H2,18,22)(H2,19,23)(H,20,21)