5-(2-azanylpyrimidin-4-yl)-N-[2-(2,4-dichlorophenyl)pent-4-ynyl]thiophene-2-carboxamide

Systemtic Name: 5-(2-azanylpyrimidin-4-yl)-N-[2-(2,4-dichlorophenyl)pent-4-ynyl]thiophene-2-carboxamide Openeye Name: 5-(2-aminopyrimidin-4-yl)-N-[2-(2,4-dichlorophenyl)pent-4-ynyl]thiophene-2-carboxamide CAS Name: 5-(2-amino-4-pyrimidinyl)-N-[2-(2,4-dichlorophenyl)pent-4-ynyl]-2-thiophenecarboxamide IUPAC Name: 5-(2-aminopyrimidin-4-yl)-N-[2-(2,4-dichlorophenyl)pent-4-ynyl]thiophene-2-carboxamide Traditional Name: 5-(2-aminopyrimidin-4-yl)-N-[2-(2,4-dichlorophenyl)pent-4-ynyl]thiophene-2-carboxamide Formula: C20H16Cl2N4OS MolecularWeight: 431.33824

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Descriptors Computed from Structure

Canonical SMILES:

C#CCC(CNC(=O)C1=CC=C(S1)C2=NC(=NC=C2)N)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

C#CCC(CNC(=O)C1=CC=C(S1)C2=NC(=NC=C2)N)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C20H16Cl2N4OS/c1-2-3-12(14-5-4-13(21)10-15(14)22)11-25-19(27)18-7-6-17(28-18)16-8-9-24-20(23)26-16/h1,4-10,12H,3,11H2,(H,25,27)(H2,23,24,26)