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

Systemtic Name: N-(3-chlorophenyl)-3-[[4-(3-pyrrolidin-1-ylpropylamino)pyrimidin-2-yl]amino]benzamide Openeye Name: N-(3-chlorophenyl)-3-[[4-(3-pyrrolidin-1-ylpropylamino)pyrimidin-2-yl]amino]benzamide CAS Name: N-(3-chlorophenyl)-3-[[4-[3-(1-pyrrolidinyl)propylamino]-2-pyrimidinyl]amino]benzamide IUPAC Name: N-(3-chlorophenyl)-3-[[4-(3-pyrrolidin-1-ylpropylamino)pyrimidin-2-yl]amino]benzamide Traditional Name: N-(3-chlorophenyl)-3-[[4-(3-pyrrolidinopropylamino)pyrimidin-2-yl]amino]benzamide Formula: C24H27ClN6O MolecularWeight: 450.96378

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCNC2=NC(=NC=C2)NC3=CC=CC(=C3)C(=O)NC4=CC(=CC=C4)Cl

Isomeric SMILES

C1CCN(C1)CCCNC2=NC(=NC=C2)NC3=CC=CC(=C3)C(=O)NC4=CC(=CC=C4)Cl

InChI

InChI=1S/C24H27ClN6O/c25-19-7-4-9-21(17-19)28-23(32)18-6-3-8-20(16-18)29-24-27-12-10-22(30-24)26-11-5-15-31-13-1-2-14-31/h3-4,6-10,12,16-17H,1-2,5,11,13-15H2,(H,28,32)(H2,26,27,29,30)