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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NCCN3CCCC3)Cl

Isomeric SMILES

CCN(CC)C1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NCCN3CCCC3)Cl

InChI

InChI=1S/C22H30ClN5OS/c1-3-28(4-2)20-15-19(23)25-22(26-20)30-16-17-7-9-18(10-8-17)21(29)24-11-14-27-12-5-6-13-27/h7-10,15H,3-6,11-14,16H2,1-2H3,(H,24,29)