4-azanyl-2-[1-[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]ethylsulfanyl]pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[1-[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]ethylsulfanyl]pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[1-(1-benzyl-5-chloro-benzimidazol-2-yl)ethylsulfanyl]pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[1-[5-chloro-1-(phenylmethyl)-2-benzimidazolyl]ethylthio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[1-(1-benzyl-5-chlorobenzimidazol-2-yl)ethylsulfanyl]pyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[1-(1-benzyl-5-chloro-benzimidazol-2-yl)ethylthio]pyrimidine-5-carbonitrile Formula: C21H17ClN6S MolecularWeight: 420.91788

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=C(N1CC3=CC=CC=C3)C=CC(=C2)Cl)SC4=NC=C(C(=N4)N)C#N

Isomeric SMILES

CC(C1=NC2=C(N1CC3=CC=CC=C3)C=CC(=C2)Cl)SC4=NC=C(C(=N4)N)C#N

InChI

InChI=1S/C21H17ClN6S/c1-13(29-21-25-11-15(10-23)19(24)27-21)20-26-17-9-16(22)7-8-18(17)28(20)12-14-5-3-2-4-6-14/h2-9,11,13H,12H2,1H3,(H2,24,25,27)