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

Systemtic Name: N-[3-[6-[(phenylmethyl)amino]pyrimidin-4-yl]benzimidazol-5-yl]but-2-ynamide Openeye Name: N-[3-[6-(benzylamino)pyrimidin-4-yl]benzimidazol-5-yl]but-2-ynamide CAS Name: N-[3-[6-[(phenylmethyl)amino]-4-pyrimidinyl]-5-benzimidazolyl]-2-butynamide IUPAC Name: N-[3-[6-(benzylamino)pyrimidin-4-yl]benzimidazol-5-yl]but-2-ynamide Traditional Name: N-[3-[6-(benzylamino)pyrimidin-4-yl]benzimidazol-5-yl]but-2-ynamide Formula: C22H18N6O MolecularWeight: 382.41792

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(=O)NC1=CC2=C(C=C1)N=CN2C3=CC(=NC=N3)NCC4=CC=CC=C4

Isomeric SMILES

CC#CC(=O)NC1=CC2=C(C=C1)N=CN2C3=CC(=NC=N3)NCC4=CC=CC=C4

InChI

InChI=1S/C22H18N6O/c1-2-6-22(29)27-17-9-10-18-19(11-17)28(15-26-18)21-12-20(24-14-25-21)23-13-16-7-4-3-5-8-16/h3-5,7-12,14-15H,13H2,1H3,(H,27,29)(H,23,24,25)