N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-methylsulfanyl-4-propyl-pyrimidine-5-carboxamide

Systemtic Name: N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-methylsulfanyl-4-propyl-pyrimidine-5-carboxamide Openeye Name: N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-methylsulfanyl-4-propyl-pyrimidine-5-carboxamide CAS Name: N-[4-[(4-ethyl-1-piperazinyl)methyl]phenyl]-2-(methylthio)-4-propyl-5-pyrimidinecarboxamide IUPAC Name: N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-methylsulfanyl-4-propylpyrimidine-5-carboxamide Traditional Name: N-[4-[(4-ethylpiperazino)methyl]phenyl]-2-(methylthio)-4-propyl-pyrimidine-5-carboxamide Formula: C22H31N5OS MolecularWeight: 413.57944

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NC=C1C(=O)NC2=CC=C(C=C2)CN3CCN(CC3)CC)SC

Isomeric SMILES

CCCC1=NC(=NC=C1C(=O)NC2=CC=C(C=C2)CN3CCN(CC3)CC)SC

InChI

InChI=1S/C22H31N5OS/c1-4-6-20-19(15-23-22(25-20)29-3)21(28)24-18-9-7-17(8-10-18)16-27-13-11-26(5-2)12-14-27/h7-10,15H,4-6,11-14,16H2,1-3H3,(H,24,28)