N-[2-(4-chlorophenyl)-4-oxidanyl-butyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide

Systemtic Name: N-[2-(4-chlorophenyl)-4-oxidanyl-butyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide Openeye Name: N-[2-(4-chlorophenyl)-4-hydroxy-butyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide CAS Name: N-[2-(4-chlorophenyl)-4-hydroxybutyl]-5-[2-(methylamino)-4-pyrimidinyl]-2-thiophenecarboxamide IUPAC Name: N-[2-(4-chlorophenyl)-4-hydroxybutyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide Traditional Name: N-[2-(4-chlorophenyl)-4-hydroxy-butyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide Formula: C20H21ClN4O2S MolecularWeight: 416.92434

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC=CC(=N1)C2=CC=C(S2)C(=O)NCC(CCO)C3=CC=C(C=C3)Cl

Isomeric SMILES

CNC1=NC=CC(=N1)C2=CC=C(S2)C(=O)NCC(CCO)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H21ClN4O2S/c1-22-20-23-10-8-16(25-20)17-6-7-18(28-17)19(27)24-12-14(9-11-26)13-2-4-15(21)5-3-13/h2-8,10,14,26H,9,11-12H2,1H3,(H,24,27)(H,22,23,25)