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

Systemtic Name: 3-[[4-chloranyl-6-(dipropylamino)pyrimidin-2-yl]sulfanylmethyl]-N-(diphenylmethyl)benzamide Openeye Name: N-benzhydryl-3-[[4-chloro-6-(dipropylamino)pyrimidin-2-yl]sulfanylmethyl]benzamide CAS Name: 3-[[[4-chloro-6-(dipropylamino)-2-pyrimidinyl]thio]methyl]-N-(diphenylmethyl)benzamide IUPAC Name: N-benzhydryl-3-[[4-chloro-6-(dipropylamino)pyrimidin-2-yl]sulfanylmethyl]benzamide Traditional Name: N-benzhydryl-3-[[[4-chloro-6-(dipropylamino)pyrimidin-2-yl]thio]methyl]benzamide Formula: C31H33ClN4OS MolecularWeight: 545.13792

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

CCCN(CCC)C1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C31H33ClN4OS/c1-3-18-36(19-4-2)28-21-27(32)33-31(34-28)38-22-23-12-11-17-26(20-23)30(37)35-29(24-13-7-5-8-14-24)25-15-9-6-10-16-25/h5-17,20-21,29H,3-4,18-19,22H2,1-2H3,(H,35,37)