2-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-N-(3-oxidanylidene-1-phenyl-butan-2-yl)ethanamide

Systemtic Name: 2-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-N-(3-oxidanylidene-1-phenyl-butan-2-yl)ethanamide Openeye Name: 2-[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-N-(1-benzyl-2-oxo-propyl)acetamide CAS Name: 2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-2-pyrimidinyl]thio]-N-(3-oxo-1-phenylbutan-2-yl)acetamide IUPAC Name: 2-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanyl-N-(3-oxo-1-phenylbutan-2-yl)acetamide Traditional Name: 2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]thio]-N-(1-benzyl-2-keto-propyl)acetamide Formula: C24H25ClN4O2S MolecularWeight: 468.9989

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25ClN4O2S/c1-3-19-22(17-9-11-18(25)12-10-17)23(26)29-24(28-19)32-14-21(31)27-20(15(2)30)13-16-7-5-4-6-8-16/h4-12,20H,3,13-14H2,1-2H3,(H,27,31)(H2,26,28,29)