N-(4-butylphenyl)-2-[6-(2,6-dimethylmorpholin-4-yl)pyrimidin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-butylphenyl)-2-[6-(2,6-dimethylmorpholin-4-yl)pyrimidin-4-yl]sulfanyl-ethanamide Openeye Name: N-(4-butylphenyl)-2-[6-(2,6-dimethylmorpholin-4-yl)pyrimidin-4-yl]sulfanyl-acetamide CAS Name: N-(4-butylphenyl)-2-[[6-(2,6-dimethyl-4-morpholinyl)-4-pyrimidinyl]thio]acetamide IUPAC Name: N-(4-butylphenyl)-2-[6-(2,6-dimethylmorpholin-4-yl)pyrimidin-4-yl]sulfanylacetamide Traditional Name: N-(4-butylphenyl)-2-[[6-(2,6-dimethylmorpholino)pyrimidin-4-yl]thio]acetamide Formula: C22H30N4O2S MolecularWeight: 414.5642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NC=NC(=C2)N3CC(OC(C3)C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NC=NC(=C2)N3CC(OC(C3)C)C

InChI

InChI=1S/C22H30N4O2S/c1-4-5-6-18-7-9-19(10-8-18)25-21(27)14-29-22-11-20(23-15-24-22)26-12-16(2)28-17(3)13-26/h7-11,15-17H,4-6,12-14H2,1-3H3,(H,25,27)