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

Systemtic Name: N-(6-azanylhexyl)-4-[[4-chloranyl-6-(diethylamino)pyrimidin-2-yl]sulfanylmethyl]benzamide Openeye Name: N-(6-aminohexyl)-4-[[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanylmethyl]benzamide CAS Name: N-(6-aminohexyl)-4-[[[4-chloro-6-(diethylamino)-2-pyrimidinyl]thio]methyl]benzamide IUPAC Name: N-(6-aminohexyl)-4-[[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanylmethyl]benzamide Traditional Name: N-(6-aminohexyl)-4-[[[4-chloro-6-(diethylamino)pyrimidin-2-yl]thio]methyl]benzamide Formula: C22H32ClN5OS MolecularWeight: 450.04038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32ClN5OS/c1-3-28(4-2)20-15-19(23)26-22(27-20)30-16-17-9-11-18(12-10-17)21(29)25-14-8-6-5-7-13-24/h9-12,15H,3-8,13-14,16,24H2,1-2H3,(H,25,29)