2-[[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]methylsulfanyl]pyrimidine-4,6-diamine

Systemtic Name: 2-[[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]methylsulfanyl]pyrimidine-4,6-diamine Openeye Name: 2-[(1-benzyl-5-chloro-benzimidazol-2-yl)methylsulfanyl]pyrimidine-4,6-diamine CAS Name: 2-[[5-chloro-1-(phenylmethyl)-2-benzimidazolyl]methylthio]pyrimidine-4,6-diamine IUPAC Name: 2-[(1-benzyl-5-chlorobenzimidazol-2-yl)methylsulfanyl]pyrimidine-4,6-diamine Traditional Name: [6-amino-2-[(1-benzyl-5-chloro-benzimidazol-2-yl)methylthio]pyrimidin-4-yl]amine Formula: C19H17ClN6S MolecularWeight: 396.89648

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Cl)N=C2CSC4=NC(=CC(=N4)N)N

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Cl)N=C2CSC4=NC(=CC(=N4)N)N

InChI

InChI=1S/C19H17ClN6S/c20-13-6-7-15-14(8-13)23-18(26(15)10-12-4-2-1-3-5-12)11-27-19-24-16(21)9-17(22)25-19/h1-9H,10-11H2,(H4,21,22,24,25)