3-[[4-(diethylamino)-6-propan-2-yl-pyrimidin-2-yl]sulfanylmethyl]-N-ethyl-benzamide

Systemtic Name: 3-[[4-(diethylamino)-6-propan-2-yl-pyrimidin-2-yl]sulfanylmethyl]-N-ethyl-benzamide Openeye Name: 3-[[4-(diethylamino)-6-isopropyl-pyrimidin-2-yl]sulfanylmethyl]-N-ethyl-benzamide CAS Name: 3-[[[4-(diethylamino)-6-propan-2-yl-2-pyrimidinyl]thio]methyl]-N-ethylbenzamide IUPAC Name: 3-[[4-(diethylamino)-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]-N-ethylbenzamide Traditional Name: 3-[[[4-(diethylamino)-6-isopropyl-pyrimidin-2-yl]thio]methyl]-N-ethyl-benzamide Formula: C21H30N4OS MolecularWeight: 386.5541

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CC(=CC=C1)CSC2=NC(=CC(=N2)N(CC)CC)C(C)C

Isomeric SMILES

CCNC(=O)C1=CC(=CC=C1)CSC2=NC(=CC(=N2)N(CC)CC)C(C)C

InChI

InChI=1S/C21H30N4OS/c1-6-22-20(26)17-11-9-10-16(12-17)14-27-21-23-18(15(4)5)13-19(24-21)25(7-2)8-3/h9-13,15H,6-8,14H2,1-5H3,(H,22,26)