N-[3-[6-[(3-methyl-1-oxidanyl-butan-2-yl)amino]pyrimidin-4-yl]benzimidazol-5-yl]but-2-ynamide

Systemtic Name: N-[3-[6-[(3-methyl-1-oxidanyl-butan-2-yl)amino]pyrimidin-4-yl]benzimidazol-5-yl]but-2-ynamide Openeye Name: N-[3-[6-[[1-(hydroxymethyl)-2-methyl-propyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]but-2-ynamide CAS Name: N-[3-[6-[(1-hydroxy-3-methylbutan-2-yl)amino]-4-pyrimidinyl]-5-benzimidazolyl]-2-butynamide IUPAC Name: N-[3-[6-[(1-hydroxy-3-methylbutan-2-yl)amino]pyrimidin-4-yl]benzimidazol-5-yl]but-2-ynamide Traditional Name: N-[3-[6-[(2-methyl-1-methylol-propyl)amino]pyrimidin-4-yl]benzimidazol-5-yl]but-2-ynamide Formula: C20H22N6O2 MolecularWeight: 378.42768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N6O2/c1-4-5-20(28)24-14-6-7-15-17(8-14)26(12-23-15)19-9-18(21-11-22-19)25-16(10-27)13(2)3/h6-9,11-13,16,27H,10H2,1-3H3,(H,24,28)(H,21,22,25)