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

Systemtic Name: N-cyclopropyl-3-[[4-(diethylamino)-6-propan-2-yl-pyrimidin-2-yl]sulfanylmethyl]benzamide Openeye Name: N-cyclopropyl-3-[[4-(diethylamino)-6-isopropyl-pyrimidin-2-yl]sulfanylmethyl]benzamide CAS Name: N-cyclopropyl-3-[[[4-(diethylamino)-6-propan-2-yl-2-pyrimidinyl]thio]methyl]benzamide IUPAC Name: N-cyclopropyl-3-[[4-(diethylamino)-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]benzamide Traditional Name: N-cyclopropyl-3-[[[4-(diethylamino)-6-isopropyl-pyrimidin-2-yl]thio]methyl]benzamide Formula: C22H30N4OS MolecularWeight: 398.5648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC(=NC(=C1)C(C)C)SCC2=CC=CC(=C2)C(=O)NC3CC3

Isomeric SMILES

CCN(CC)C1=NC(=NC(=C1)C(C)C)SCC2=CC=CC(=C2)C(=O)NC3CC3

InChI

InChI=1S/C22H30N4OS/c1-5-26(6-2)20-13-19(15(3)4)24-22(25-20)28-14-16-8-7-9-17(12-16)21(27)23-18-10-11-18/h7-9,12-13,15,18H,5-6,10-11,14H2,1-4H3,(H,23,27)