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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCC3CC3)N(CC)CC

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCC3CC3)N(CC)CC

InChI

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