N-(3-azanylpropyl)-3-[[4-[2-(3-oxidanylpropylamino)pyridin-4-yl]pyrimidin-2-yl]amino]benzamide

Systemtic Name: N-(3-azanylpropyl)-3-[[4-[2-(3-oxidanylpropylamino)pyridin-4-yl]pyrimidin-2-yl]amino]benzamide Openeye Name: N-(3-aminopropyl)-3-[[4-[2-(3-hydroxypropylamino)-4-pyridyl]pyrimidin-2-yl]amino]benzamide CAS Name: N-(3-aminopropyl)-3-[[4-[2-(3-hydroxypropylamino)-4-pyridinyl]-2-pyrimidinyl]amino]benzamide IUPAC Name: N-(3-aminopropyl)-3-[[4-[2-(3-hydroxypropylamino)pyridin-4-yl]pyrimidin-2-yl]amino]benzamide Traditional Name: N-(3-aminopropyl)-3-[[4-[2-(3-hydroxypropylamino)-4-pyridyl]pyrimidin-2-yl]amino]benzamide Formula: C22H27N7O2 MolecularWeight: 421.49548

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=NC=CC(=N2)C3=CC(=NC=C3)NCCCO)C(=O)NCCCN

Isomeric SMILES

C1=CC(=CC(=C1)NC2=NC=CC(=N2)C3=CC(=NC=C3)NCCCO)C(=O)NCCCN

InChI

InChI=1S/C22H27N7O2/c23-8-2-9-26-21(31)17-4-1-5-18(14-17)28-22-27-12-7-19(29-22)16-6-11-25-20(15-16)24-10-3-13-30/h1,4-7,11-12,14-15,30H,2-3,8-10,13,23H2,(H,24,25)(H,26,31)(H,27,28,29)