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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23ClN4OS/c1-3-9-24(2)17-11-16(20)22-19(23-17)26-12-13-5-4-6-14(10-13)18(25)21-15-7-8-15/h4-6,10-11,15H,3,7-9,12H2,1-2H3,(H,21,25)