N-(1-adamantyl)-5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)pyrimidine-2-carboxamide

Systemtic Name: N-(1-adamantyl)-5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)pyrimidine-2-carboxamide Openeye Name: N-(1-adamantyl)-5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)pyrimidine-2-carboxamide CAS Name: N-(1-adamantyl)-5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-pyrimidinecarboxamide IUPAC Name: N-(1-adamantyl)-5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)pyrimidine-2-carboxamide Traditional Name: N-(1-adamantyl)-5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)pyrimidine-2-carboxamide Formula: C27H24Cl3N3O MolecularWeight: 512.85796

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=NC=C(C(=N4)C5=C(C=C(C=C5)Cl)Cl)C6=CC=C(C=C6)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=NC=C(C(=N4)C5=C(C=C(C=C5)Cl)Cl)C6=CC=C(C=C6)Cl

InChI

InChI=1S/C27H24Cl3N3O/c28-19-3-1-18(2-4-19)22-14-31-25(32-24(22)21-6-5-20(29)10-23(21)30)26(34)33-27-11-15-7-16(12-27)9-17(8-15)13-27/h1-6,10,14-17H,7-9,11-13H2,(H,33,34)