3-(2-hexylsulfanylpyrimidin-4-yl)benzimidazol-5-amine

Systemtic Name: 3-(2-hexylsulfanylpyrimidin-4-yl)benzimidazol-5-amine Openeye Name: 3-(2-hexylsulfanylpyrimidin-4-yl)benzimidazol-5-amine CAS Name: 3-[2-(hexylthio)-4-pyrimidinyl]-5-benzimidazolamine IUPAC Name: 3-(2-hexylsulfanylpyrimidin-4-yl)benzimidazol-5-amine Traditional Name: [3-[2-(hexylthio)pyrimidin-4-yl]benzimidazol-5-yl]amine Formula: C17H21N5S MolecularWeight: 327.44714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC=CC(=N1)N2C=NC3=C2C=C(C=C3)N

Isomeric SMILES

CCCCCCSC1=NC=CC(=N1)N2C=NC3=C2C=C(C=C3)N

InChI

InChI=1S/C17H21N5S/c1-2-3-4-5-10-23-17-19-9-8-16(21-17)22-12-20-14-7-6-13(18)11-15(14)22/h6-9,11-12H,2-5,10,18H2,1H3