N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-3-phenylsulfanyl-propanamide

Systemtic Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-3-phenylsulfanyl-propanamide Openeye Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-3-phenylsulfanyl-propanamide CAS Name: N-[2-[[6-(1-azepanyl)-4-pyrimidinyl]oxy]ethyl]-3-(phenylthio)propanamide IUPAC Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-3-phenylsulfanylpropanamide Traditional Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-3-(phenylthio)propionamide Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC(=NC=N2)OCCNC(=O)CCSC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)C2=CC(=NC=N2)OCCNC(=O)CCSC3=CC=CC=C3

InChI

InChI=1S/C21H28N4O2S/c26-20(10-15-28-18-8-4-3-5-9-18)22-11-14-27-21-16-19(23-17-24-21)25-12-6-1-2-7-13-25/h3-5,8-9,16-17H,1-2,6-7,10-15H2,(H,22,26)