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

Systemtic Name: 4-[(4-chloranyl-6-morpholin-4-yl-pyrimidin-2-yl)sulfanylmethyl]-N-(3-methoxypropyl)benzamide Openeye Name: 4-[(4-chloro-6-morpholino-pyrimidin-2-yl)sulfanylmethyl]-N-(3-methoxypropyl)benzamide CAS Name: 4-[[[4-chloro-6-(4-morpholinyl)-2-pyrimidinyl]thio]methyl]-N-(3-methoxypropyl)benzamide IUPAC Name: 4-[(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)sulfanylmethyl]-N-(3-methoxypropyl)benzamide Traditional Name: 4-[[(4-chloro-6-morpholino-pyrimidin-2-yl)thio]methyl]-N-(3-methoxypropyl)benzamide Formula: C20H25ClN4O3S MolecularWeight: 436.9555

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)C1=CC=C(C=C1)CSC2=NC(=CC(=N2)Cl)N3CCOCC3

Isomeric SMILES

COCCCNC(=O)C1=CC=C(C=C1)CSC2=NC(=CC(=N2)Cl)N3CCOCC3

InChI

InChI=1S/C20H25ClN4O3S/c1-27-10-2-7-22-19(26)16-5-3-15(4-6-16)14-29-20-23-17(21)13-18(24-20)25-8-11-28-12-9-25/h3-6,13H,2,7-12,14H2,1H3,(H,22,26)