2-methylsulfanyl-4-phenyl-N-[3-(4-propylpiperazin-1-yl)propyl]pyrimidine-5-carboxamide

Systemtic Name: 2-methylsulfanyl-4-phenyl-N-[3-(4-propylpiperazin-1-yl)propyl]pyrimidine-5-carboxamide Openeye Name: 2-methylsulfanyl-4-phenyl-N-[3-(4-propylpiperazin-1-yl)propyl]pyrimidine-5-carboxamide CAS Name: 2-(methylthio)-4-phenyl-N-[3-(4-propyl-1-piperazinyl)propyl]-5-pyrimidinecarboxamide IUPAC Name: 2-methylsulfanyl-4-phenyl-N-[3-(4-propylpiperazin-1-yl)propyl]pyrimidine-5-carboxamide Traditional Name: 2-(methylthio)-4-phenyl-N-[3-(4-propylpiperazino)propyl]pyrimidine-5-carboxamide Formula: C22H31N5OS MolecularWeight: 413.57944

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CC1)CCCNC(=O)C2=CN=C(N=C2C3=CC=CC=C3)SC

Isomeric SMILES

CCCN1CCN(CC1)CCCNC(=O)C2=CN=C(N=C2C3=CC=CC=C3)SC

InChI

InChI=1S/C22H31N5OS/c1-3-11-26-13-15-27(16-14-26)12-7-10-23-21(28)19-17-24-22(29-2)25-20(19)18-8-5-4-6-9-18/h4-6,8-9,17H,3,7,10-16H2,1-2H3,(H,23,28)