4-(3-chlorophenyl)-6-methyl-N-(3-phenylpropyl)-2-thiophen-2-yl-pyrimidine-5-carboxamide

Systemtic Name: 4-(3-chlorophenyl)-6-methyl-N-(3-phenylpropyl)-2-thiophen-2-yl-pyrimidine-5-carboxamide Openeye Name: 4-(3-chlorophenyl)-6-methyl-N-(3-phenylpropyl)-2-(2-thienyl)pyrimidine-5-carboxamide CAS Name: 4-(3-chlorophenyl)-6-methyl-N-(3-phenylpropyl)-2-thiophen-2-yl-5-pyrimidinecarboxamide IUPAC Name: 4-(3-chlorophenyl)-6-methyl-N-(3-phenylpropyl)-2-thiophen-2-ylpyrimidine-5-carboxamide Traditional Name: 4-(3-chlorophenyl)-6-methyl-N-(3-phenylpropyl)-2-(2-thienyl)pyrimidine-5-carboxamide Formula: C25H22ClN3OS MolecularWeight: 447.97968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1C(=O)NCCCC2=CC=CC=C2)C3=CC(=CC=C3)Cl)C4=CC=CS4

Isomeric SMILES

CC1=NC(=NC(=C1C(=O)NCCCC2=CC=CC=C2)C3=CC(=CC=C3)Cl)C4=CC=CS4

InChI

InChI=1S/C25H22ClN3OS/c1-17-22(25(30)27-14-6-10-18-8-3-2-4-9-18)23(19-11-5-12-20(26)16-19)29-24(28-17)21-13-7-15-31-21/h2-5,7-9,11-13,15-16H,6,10,14H2,1H3,(H,27,30)