4-[[4-chloranyl-6-(dipropylamino)pyrimidin-2-yl]sulfanylmethyl]-N-phenethyl-benzamide

Systemtic Name: 4-[[4-chloranyl-6-(dipropylamino)pyrimidin-2-yl]sulfanylmethyl]-N-phenethyl-benzamide Openeye Name: 4-[[4-chloro-6-(dipropylamino)pyrimidin-2-yl]sulfanylmethyl]-N-phenethyl-benzamide CAS Name: 4-[[[4-chloro-6-(dipropylamino)-2-pyrimidinyl]thio]methyl]-N-phenethylbenzamide IUPAC Name: 4-[[4-chloro-6-(dipropylamino)pyrimidin-2-yl]sulfanylmethyl]-N-phenethylbenzamide Traditional Name: 4-[[[4-chloro-6-(dipropylamino)pyrimidin-2-yl]thio]methyl]-N-phenethyl-benzamide Formula: C26H31ClN4OS MolecularWeight: 483.06854

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NCCC3=CC=CC=C3)Cl

Isomeric SMILES

CCCN(CCC)C1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NCCC3=CC=CC=C3)Cl

InChI

InChI=1S/C26H31ClN4OS/c1-3-16-31(17-4-2)24-18-23(27)29-26(30-24)33-19-21-10-12-22(13-11-21)25(32)28-15-14-20-8-6-5-7-9-20/h5-13,18H,3-4,14-17,19H2,1-2H3,(H,28,32)