3-[[4-chloranyl-6-(dipropylamino)pyrimidin-2-yl]sulfanylmethyl]-N,N-diethyl-benzamide

Systemtic Name: 3-[[4-chloranyl-6-(dipropylamino)pyrimidin-2-yl]sulfanylmethyl]-N,N-diethyl-benzamide Openeye Name: 3-[[4-chloro-6-(dipropylamino)pyrimidin-2-yl]sulfanylmethyl]-N,N-diethyl-benzamide CAS Name: 3-[[[4-chloro-6-(dipropylamino)-2-pyrimidinyl]thio]methyl]-N,N-diethylbenzamide IUPAC Name: 3-[[4-chloro-6-(dipropylamino)pyrimidin-2-yl]sulfanylmethyl]-N,N-diethylbenzamide Traditional Name: 3-[[[4-chloro-6-(dipropylamino)pyrimidin-2-yl]thio]methyl]-N,N-diethyl-benzamide Formula: C22H31ClN4OS MolecularWeight: 435.02574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31ClN4OS/c1-5-12-27(13-6-2)20-15-19(23)24-22(25-20)29-16-17-10-9-11-18(14-17)21(28)26(7-3)8-4/h9-11,14-15H,5-8,12-13,16H2,1-4H3