3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-propyl-benzamide

Systemtic Name: 3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-propyl-benzamide Openeye Name: 3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-propyl-benzamide CAS Name: 3-[[4-(4-acetamidophenyl)-2-pyrimidinyl]amino]-N-propylbenzamide IUPAC Name: 3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-propylbenzamide Traditional Name: 3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-propyl-benzamide Formula: C22H23N5O2 MolecularWeight: 389.45032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC(=CC=C1)NC2=NC=CC(=N2)C3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CCCNC(=O)C1=CC(=CC=C1)NC2=NC=CC(=N2)C3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C22H23N5O2/c1-3-12-23-21(29)17-5-4-6-19(14-17)26-22-24-13-11-20(27-22)16-7-9-18(10-8-16)25-15(2)28/h4-11,13-14H,3,12H2,1-2H3,(H,23,29)(H,25,28)(H,24,26,27)