2-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

Systemtic Name: 2-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide Openeye Name: 2-[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide CAS Name: 2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-2-pyrimidinyl]thio]-N-(1,3,5-trimethyl-4-pyrazolyl)propanamide IUPAC Name: 2-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide Traditional Name: 2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]thio]-N-(1,3,5-trimethylpyrazol-4-yl)propionamide Formula: C21H25ClN6OS MolecularWeight: 444.9808

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)SC(C)C(=O)NC2=C(N(N=C2C)C)C)N)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCC1=C(C(=NC(=N1)SC(C)C(=O)NC2=C(N(N=C2C)C)C)N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H25ClN6OS/c1-6-16-17(14-7-9-15(22)10-8-14)19(23)26-21(24-16)30-13(4)20(29)25-18-11(2)27-28(5)12(18)3/h7-10,13H,6H2,1-5H3,(H,25,29)(H2,23,24,26)