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

Systemtic Name: 3-[[4-(diethylamino)-6-(methoxymethyl)pyrimidin-2-yl]sulfanylmethyl]-N-propan-2-yl-benzamide Openeye Name: 3-[[4-(diethylamino)-6-(methoxymethyl)pyrimidin-2-yl]sulfanylmethyl]-N-isopropyl-benzamide CAS Name: 3-[[[4-(diethylamino)-6-(methoxymethyl)-2-pyrimidinyl]thio]methyl]-N-propan-2-ylbenzamide IUPAC Name: 3-[[4-(diethylamino)-6-(methoxymethyl)pyrimidin-2-yl]sulfanylmethyl]-N-propan-2-ylbenzamide Traditional Name: 3-[[[4-(diethylamino)-6-(methoxymethyl)pyrimidin-2-yl]thio]methyl]-N-isopropyl-benzamide Formula: C21H30N4O2S MolecularWeight: 402.5535

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O2S/c1-6-25(7-2)19-12-18(13-27-5)23-21(24-19)28-14-16-9-8-10-17(11-16)20(26)22-15(3)4/h8-12,15H,6-7,13-14H2,1-5H3,(H,22,26)