N4-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-6-chloranyl-pyrimidine-2,4-diamine

Systemtic Name: N4-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-6-chloranyl-pyrimidine-2,4-diamine Openeye Name: N4-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-6-chloro-pyrimidine-2,4-diamine CAS Name: N4-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-6-chloropyrimidine-2,4-diamine IUPAC Name: 4-N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-6-chloropyrimidine-2,4-diamine Traditional Name: (2-amino-6-chloro-pyrimidin-4-yl)-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]amine Formula: C15H17ClN6S MolecularWeight: 348.85368

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C1=NC2=CC=CC=C2N1)NC3=CC(=NC(=N3)N)Cl

Isomeric SMILES

CSCCC(C1=NC2=CC=CC=C2N1)NC3=CC(=NC(=N3)N)Cl

InChI

InChI=1S/C15H17ClN6S/c1-23-7-6-11(18-13-8-12(16)21-15(17)22-13)14-19-9-4-2-3-5-10(9)20-14/h2-5,8,11H,6-7H2,1H3,(H,19,20)(H3,17,18,21,22)