3-[2-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanylethanoyl-(phenylmethyl)amino]propanamide

Systemtic Name: 3-[2-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanylethanoyl-(phenylmethyl)amino]propanamide Openeye Name: 3-[[2-[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanylacetyl]-benzyl-amino]propanamide CAS Name: 3-[[2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-2-pyrimidinyl]thio]-1-oxoethyl]-(phenylmethyl)amino]propanamide IUPAC Name: 3-[[2-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanylacetyl]-benzylamino]propanamide Traditional Name: 3-[[2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]thio]acetyl]-benzyl-amino]propionamide Formula: C24H26ClN5O2S MolecularWeight: 484.01354

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)SCC(=O)N(CCC(=O)N)CC2=CC=CC=C2)N)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCC1=C(C(=NC(=N1)SCC(=O)N(CCC(=O)N)CC2=CC=CC=C2)N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C24H26ClN5O2S/c1-2-19-22(17-8-10-18(25)11-9-17)23(27)29-24(28-19)33-15-21(32)30(13-12-20(26)31)14-16-6-4-3-5-7-16/h3-11H,2,12-15H2,1H3,(H2,26,31)(H2,27,28,29)