N-(6-azanylhexyl)-4-[[4-chloranyl-6-(dipropylamino)pyrimidin-2-yl]sulfanylmethyl]benzamide

Systemtic Name: N-(6-azanylhexyl)-4-[[4-chloranyl-6-(dipropylamino)pyrimidin-2-yl]sulfanylmethyl]benzamide Openeye Name: N-(6-aminohexyl)-4-[[4-chloro-6-(dipropylamino)pyrimidin-2-yl]sulfanylmethyl]benzamide CAS Name: N-(6-aminohexyl)-4-[[[4-chloro-6-(dipropylamino)-2-pyrimidinyl]thio]methyl]benzamide IUPAC Name: N-(6-aminohexyl)-4-[[4-chloro-6-(dipropylamino)pyrimidin-2-yl]sulfanylmethyl]benzamide Traditional Name: N-(6-aminohexyl)-4-[[[4-chloro-6-(dipropylamino)pyrimidin-2-yl]thio]methyl]benzamide Formula: C24H36ClN5OS MolecularWeight: 478.09354

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NCCCCCCN)Cl

Isomeric SMILES

CCCN(CCC)C1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NCCCCCCN)Cl

InChI

InChI=1S/C24H36ClN5OS/c1-3-15-30(16-4-2)22-17-21(25)28-24(29-22)32-18-19-9-11-20(12-10-19)23(31)27-14-8-6-5-7-13-26/h9-12,17H,3-8,13-16,18,26H2,1-2H3,(H,27,31)