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

Systemtic Name: 4-azanyl-5-chloranyl-2-methoxy-N-[3-methoxy-1-(2-pyrimidin-2-ylsulfanylethyl)piperidin-4-yl]benzamide Openeye Name: 4-amino-5-chloro-2-methoxy-N-[3-methoxy-1-(2-pyrimidin-2-ylsulfanylethyl)-4-piperidyl]benzamide CAS Name: 4-amino-5-chloro-2-methoxy-N-[3-methoxy-1-[2-(2-pyrimidinylthio)ethyl]-4-piperidinyl]benzamide IUPAC Name: 4-amino-5-chloro-2-methoxy-N-[3-methoxy-1-(2-pyrimidin-2-ylsulfanylethyl)piperidin-4-yl]benzamide Traditional Name: 4-amino-5-chloro-2-methoxy-N-[3-methoxy-1-[2-(2-pyrimidylthio)ethyl]-4-piperidyl]benzamide Formula: C20H26ClN5O3S MolecularWeight: 451.97014

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Descriptors Computed from Structure

Canonical SMILES:

COC1CN(CCC1NC(=O)C2=CC(=C(C=C2OC)N)Cl)CCSC3=NC=CC=N3

Isomeric SMILES

COC1CN(CCC1NC(=O)C2=CC(=C(C=C2OC)N)Cl)CCSC3=NC=CC=N3

InChI

InChI=1S/C20H26ClN5O3S/c1-28-17-11-15(22)14(21)10-13(17)19(27)25-16-4-7-26(12-18(16)29-2)8-9-30-20-23-5-3-6-24-20/h3,5-6,10-11,16,18H,4,7-9,12,22H2,1-2H3,(H,25,27)