N-(6-azanylhexyl)-3-[(4-chloranyl-6-morpholin-4-yl-pyrimidin-2-yl)sulfanylmethyl]benzamide

Systemtic Name: N-(6-azanylhexyl)-3-[(4-chloranyl-6-morpholin-4-yl-pyrimidin-2-yl)sulfanylmethyl]benzamide Openeye Name: N-(6-aminohexyl)-3-[(4-chloro-6-morpholino-pyrimidin-2-yl)sulfanylmethyl]benzamide CAS Name: N-(6-aminohexyl)-3-[[[4-chloro-6-(4-morpholinyl)-2-pyrimidinyl]thio]methyl]benzamide IUPAC Name: N-(6-aminohexyl)-3-[(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)sulfanylmethyl]benzamide Traditional Name: N-(6-aminohexyl)-3-[[(4-chloro-6-morpholino-pyrimidin-2-yl)thio]methyl]benzamide Formula: C22H30ClN5O2S MolecularWeight: 464.0239

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC(=NC(=N2)SCC3=CC=CC(=C3)C(=O)NCCCCCCN)Cl

Isomeric SMILES

C1COCCN1C2=CC(=NC(=N2)SCC3=CC=CC(=C3)C(=O)NCCCCCCN)Cl

InChI

InChI=1S/C22H30ClN5O2S/c23-19-15-20(28-10-12-30-13-11-28)27-22(26-19)31-16-17-6-5-7-18(14-17)21(29)25-9-4-2-1-3-8-24/h5-7,14-15H,1-4,8-13,16,24H2,(H,25,29)