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

Systemtic Name: N-cyclopropyl-3-[[4-(diethylamino)-6-(methoxymethyl)pyrimidin-2-yl]sulfanylmethyl]benzamide Openeye Name: N-cyclopropyl-3-[[4-(diethylamino)-6-(methoxymethyl)pyrimidin-2-yl]sulfanylmethyl]benzamide CAS Name: N-cyclopropyl-3-[[[4-(diethylamino)-6-(methoxymethyl)-2-pyrimidinyl]thio]methyl]benzamide IUPAC Name: N-cyclopropyl-3-[[4-(diethylamino)-6-(methoxymethyl)pyrimidin-2-yl]sulfanylmethyl]benzamide Traditional Name: N-cyclopropyl-3-[[[4-(diethylamino)-6-(methoxymethyl)pyrimidin-2-yl]thio]methyl]benzamide Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O2S/c1-4-25(5-2)19-12-18(13-27-3)23-21(24-19)28-14-15-7-6-8-16(11-15)20(26)22-17-9-10-17/h6-8,11-12,17H,4-5,9-10,13-14H2,1-3H3,(H,22,26)