N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-3-(pyrimidin-2-ylamino)benzamide

Systemtic Name: N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-3-(pyrimidin-2-ylamino)benzamide Openeye Name: N-[[4-(isopropylcarbamoylamino)phenyl]methyl]-3-(pyrimidin-2-ylamino)benzamide CAS Name: N-[[4-[[oxo-(propan-2-ylamino)methyl]amino]phenyl]methyl]-3-(2-pyrimidinylamino)benzamide IUPAC Name: N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-3-(pyrimidin-2-ylamino)benzamide Traditional Name: N-[4-(isopropylcarbamoylamino)benzyl]-3-(2-pyrimidylamino)benzamide Formula: C22H24N6O2 MolecularWeight: 404.46496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC1=CC=C(C=C1)CNC(=O)C2=CC(=CC=C2)NC3=NC=CC=N3

Isomeric SMILES

CC(C)NC(=O)NC1=CC=C(C=C1)CNC(=O)C2=CC(=CC=C2)NC3=NC=CC=N3

InChI

InChI=1S/C22H24N6O2/c1-15(2)26-22(30)28-18-9-7-16(8-10-18)14-25-20(29)17-5-3-6-19(13-17)27-21-23-11-4-12-24-21/h3-13,15H,14H2,1-2H3,(H,25,29)(H,23,24,27)(H2,26,28,30)