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

Systemtic Name: N-(phenylmethyl)-3-[[4-(3-pyrrolidin-1-ylpropylamino)pyrimidin-2-yl]amino]benzamide Openeye Name: N-benzyl-3-[[4-(3-pyrrolidin-1-ylpropylamino)pyrimidin-2-yl]amino]benzamide CAS Name: N-(phenylmethyl)-3-[[4-[3-(1-pyrrolidinyl)propylamino]-2-pyrimidinyl]amino]benzamide IUPAC Name: N-benzyl-3-[[4-(3-pyrrolidin-1-ylpropylamino)pyrimidin-2-yl]amino]benzamide Traditional Name: N-benzyl-3-[[4-(3-pyrrolidinopropylamino)pyrimidin-2-yl]amino]benzamide Formula: C25H30N6O MolecularWeight: 430.5453

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCNC2=NC(=NC=C2)NC3=CC=CC(=C3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)CCCNC2=NC(=NC=C2)NC3=CC=CC(=C3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C25H30N6O/c32-24(28-19-20-8-2-1-3-9-20)21-10-6-11-22(18-21)29-25-27-14-12-23(30-25)26-13-7-17-31-15-4-5-16-31/h1-3,6,8-12,14,18H,4-5,7,13,15-17,19H2,(H,28,32)(H2,26,27,29,30)