4-azanyl-5-chloranyl-2-methoxy-N-[3-methoxy-1-[4-(pyrimidin-2-ylamino)butyl]piperidin-4-yl]benzamide

Systemtic Name: 4-azanyl-5-chloranyl-2-methoxy-N-[3-methoxy-1-[4-(pyrimidin-2-ylamino)butyl]piperidin-4-yl]benzamide Openeye Name: 4-amino-5-chloro-2-methoxy-N-[3-methoxy-1-[4-(pyrimidin-2-ylamino)butyl]-4-piperidyl]benzamide CAS Name: 4-amino-5-chloro-2-methoxy-N-[3-methoxy-1-[4-(2-pyrimidinylamino)butyl]-4-piperidinyl]benzamide IUPAC Name: 4-amino-5-chloro-2-methoxy-N-[3-methoxy-1-[4-(pyrimidin-2-ylamino)butyl]piperidin-4-yl]benzamide Traditional Name: 4-amino-5-chloro-2-methoxy-N-[3-methoxy-1-[4-(2-pyrimidylamino)butyl]-4-piperidyl]benzamide Formula: C22H31ClN6O3 MolecularWeight: 462.97294

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Descriptors Computed from Structure

Canonical SMILES:

COC1CN(CCC1NC(=O)C2=CC(=C(C=C2OC)N)Cl)CCCCNC3=NC=CC=N3

Isomeric SMILES

COC1CN(CCC1NC(=O)C2=CC(=C(C=C2OC)N)Cl)CCCCNC3=NC=CC=N3

InChI

InChI=1S/C22H31ClN6O3/c1-31-19-13-17(24)16(23)12-15(19)21(30)28-18-6-11-29(14-20(18)32-2)10-4-3-7-25-22-26-8-5-9-27-22/h5,8-9,12-13,18,20H,3-4,6-7,10-11,14,24H2,1-2H3,(H,28,30)(H,25,26,27)