N-(6-azanylhexyl)-4-[(4-chloranyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]benzamide

Systemtic Name: N-(6-azanylhexyl)-4-[(4-chloranyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]benzamide Openeye Name: N-(6-aminohexyl)-4-[(4-chloro-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]benzamide CAS Name: N-(6-aminohexyl)-4-[[[4-chloro-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]methyl]benzamide IUPAC Name: N-(6-aminohexyl)-4-[(4-chloro-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylmethyl]benzamide Traditional Name: N-(6-aminohexyl)-4-[[(4-chloro-6-pyrrolidino-pyrimidin-2-yl)thio]methyl]benzamide Formula: C22H30ClN5OS MolecularWeight: 448.0245

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=NC(=N2)SCC3=CC=C(C=C3)C(=O)NCCCCCCN)Cl

Isomeric SMILES

C1CCN(C1)C2=CC(=NC(=N2)SCC3=CC=C(C=C3)C(=O)NCCCCCCN)Cl

InChI

InChI=1S/C22H30ClN5OS/c23-19-15-20(28-13-5-6-14-28)27-22(26-19)30-16-17-7-9-18(10-8-17)21(29)25-12-4-2-1-3-11-24/h7-10,15H,1-6,11-14,16,24H2,(H,25,29)