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

Systemtic Name: N-[2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]ethyl]-2-methylsulfanyl-4-propyl-pyrimidine-5-carboxamide Openeye Name: N-[2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]ethyl]-2-methylsulfanyl-4-propyl-pyrimidine-5-carboxamide CAS Name: N-[2-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]ethyl]-2-(methylthio)-4-propyl-5-pyrimidinecarboxamide IUPAC Name: N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-2-methylsulfanyl-4-propylpyrimidine-5-carboxamide Traditional Name: N-[2-[4-(5-chloro-2-methyl-phenyl)piperazino]ethyl]-2-(methylthio)-4-propyl-pyrimidine-5-carboxamide Formula: C22H30ClN5OS MolecularWeight: 448.0245

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NC=C1C(=O)NCCN2CCN(CC2)C3=C(C=CC(=C3)Cl)C)SC

Isomeric SMILES

CCCC1=NC(=NC=C1C(=O)NCCN2CCN(CC2)C3=C(C=CC(=C3)Cl)C)SC

InChI

InChI=1S/C22H30ClN5OS/c1-4-5-19-18(15-25-22(26-19)30-3)21(29)24-8-9-27-10-12-28(13-11-27)20-14-17(23)7-6-16(20)2/h6-7,14-15H,4-5,8-13H2,1-3H3,(H,24,29)