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

Systemtic Name: 3-[[4-chloranyl-6-(diethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-cyclopropyl-benzamide Openeye Name: 3-[[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-cyclopropyl-benzamide CAS Name: 3-[[[4-chloro-6-(diethylamino)-2-pyrimidinyl]thio]methyl]-N-cyclopropylbenzamide IUPAC Name: 3-[[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-cyclopropylbenzamide Traditional Name: 3-[[[4-chloro-6-(diethylamino)pyrimidin-2-yl]thio]methyl]-N-cyclopropyl-benzamide Formula: C19H23ClN4OS MolecularWeight: 390.93012

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NC3CC3)Cl

Isomeric SMILES

CCN(CC)C1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NC3CC3)Cl

InChI

InChI=1S/C19H23ClN4OS/c1-3-24(4-2)17-11-16(20)22-19(23-17)26-12-13-6-5-7-14(10-13)18(25)21-15-8-9-15/h5-7,10-11,15H,3-4,8-9,12H2,1-2H3,(H,21,25)