N-[3-[6-(cyclopropylmethylamino)pyrimidin-4-yl]benzimidazol-5-yl]but-2-ynamide

Systemtic Name: N-[3-[6-(cyclopropylmethylamino)pyrimidin-4-yl]benzimidazol-5-yl]but-2-ynamide Openeye Name: N-[3-[6-(cyclopropylmethylamino)pyrimidin-4-yl]benzimidazol-5-yl]but-2-ynamide CAS Name: N-[3-[6-(cyclopropylmethylamino)-4-pyrimidinyl]-5-benzimidazolyl]-2-butynamide IUPAC Name: N-[3-[6-(cyclopropylmethylamino)pyrimidin-4-yl]benzimidazol-5-yl]but-2-ynamide Traditional Name: N-[3-[6-(cyclopropylmethylamino)pyrimidin-4-yl]benzimidazol-5-yl]but-2-ynamide Formula: C19H18N6O MolecularWeight: 346.38582

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(=O)NC1=CC2=C(C=C1)N=CN2C3=CC(=NC=N3)NCC4CC4

Isomeric SMILES

CC#CC(=O)NC1=CC2=C(C=C1)N=CN2C3=CC(=NC=N3)NCC4CC4

InChI

InChI=1S/C19H18N6O/c1-2-3-19(26)24-14-6-7-15-16(8-14)25(12-23-15)18-9-17(21-11-22-18)20-10-13-4-5-13/h6-9,11-13H,4-5,10H2,1H3,(H,24,26)(H,20,21,22)