N-propan-2-yl-3-[[4-(3-pyrrolidin-1-ylpropylamino)pyrimidin-2-yl]amino]benzamide

Systemtic Name: N-propan-2-yl-3-[[4-(3-pyrrolidin-1-ylpropylamino)pyrimidin-2-yl]amino]benzamide Openeye Name: N-isopropyl-3-[[4-(3-pyrrolidin-1-ylpropylamino)pyrimidin-2-yl]amino]benzamide CAS Name: N-propan-2-yl-3-[[4-[3-(1-pyrrolidinyl)propylamino]-2-pyrimidinyl]amino]benzamide IUPAC Name: N-propan-2-yl-3-[[4-(3-pyrrolidin-1-ylpropylamino)pyrimidin-2-yl]amino]benzamide Traditional Name: N-isopropyl-3-[[4-(3-pyrrolidinopropylamino)pyrimidin-2-yl]amino]benzamide Formula: C21H30N6O MolecularWeight: 382.5025

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CC(=CC=C1)NC2=NC=CC(=N2)NCCCN3CCCC3

Isomeric SMILES

CC(C)NC(=O)C1=CC(=CC=C1)NC2=NC=CC(=N2)NCCCN3CCCC3

InChI

InChI=1S/C21H30N6O/c1-16(2)24-20(28)17-7-5-8-18(15-17)25-21-23-11-9-19(26-21)22-10-6-14-27-12-3-4-13-27/h5,7-9,11,15-16H,3-4,6,10,12-14H2,1-2H3,(H,24,28)(H2,22,23,25,26)