3-[[4-chloranyl-6-(dipropylamino)pyrimidin-2-yl]sulfanylmethyl]-N-(1-phenylethyl)benzamide

Systemtic Name: 3-[[4-chloranyl-6-(dipropylamino)pyrimidin-2-yl]sulfanylmethyl]-N-(1-phenylethyl)benzamide Openeye Name: 3-[[4-chloro-6-(dipropylamino)pyrimidin-2-yl]sulfanylmethyl]-N-(1-phenylethyl)benzamide CAS Name: 3-[[[4-chloro-6-(dipropylamino)-2-pyrimidinyl]thio]methyl]-N-(1-phenylethyl)benzamide IUPAC Name: 3-[[4-chloro-6-(dipropylamino)pyrimidin-2-yl]sulfanylmethyl]-N-(1-phenylethyl)benzamide Traditional Name: 3-[[[4-chloro-6-(dipropylamino)pyrimidin-2-yl]thio]methyl]-N-(1-phenylethyl)benzamide Formula: C26H31ClN4OS MolecularWeight: 483.06854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31ClN4OS/c1-4-14-31(15-5-2)24-17-23(27)29-26(30-24)33-18-20-10-9-13-22(16-20)25(32)28-19(3)21-11-7-6-8-12-21/h6-13,16-17,19H,4-5,14-15,18H2,1-3H3,(H,28,32)