4-[[4-chloranyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-propyl-benzamide

Systemtic Name: 4-[[4-chloranyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-propyl-benzamide Openeye Name: 4-[[4-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-propyl-benzamide CAS Name: 4-[[[4-chloro-6-(4-methyl-1-piperazinyl)-2-pyrimidinyl]thio]methyl]-N-propylbenzamide IUPAC Name: 4-[[4-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-propylbenzamide Traditional Name: 4-[[[4-chloro-6-(4-methylpiperazino)pyrimidin-2-yl]thio]methyl]-N-propyl-benzamide Formula: C20H26ClN5OS MolecularWeight: 419.97134

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC=C(C=C1)CSC2=NC(=CC(=N2)Cl)N3CCN(CC3)C

Isomeric SMILES

CCCNC(=O)C1=CC=C(C=C1)CSC2=NC(=CC(=N2)Cl)N3CCN(CC3)C

InChI

InChI=1S/C20H26ClN5OS/c1-3-8-22-19(27)16-6-4-15(5-7-16)14-28-20-23-17(21)13-18(24-20)26-11-9-25(2)10-12-26/h4-7,13H,3,8-12,14H2,1-2H3,(H,22,27)