N-butyl-4-[2-(4-chlorophenyl)-5,6-dimethyl-pyrimidin-4-yl]piperazine-1-carboxamide

Systemtic Name: N-butyl-4-[2-(4-chlorophenyl)-5,6-dimethyl-pyrimidin-4-yl]piperazine-1-carboxamide Openeye Name: N-butyl-4-[2-(4-chlorophenyl)-5,6-dimethyl-pyrimidin-4-yl]piperazine-1-carboxamide CAS Name: N-butyl-4-[2-(4-chlorophenyl)-5,6-dimethyl-4-pyrimidinyl]-1-piperazinecarboxamide IUPAC Name: N-butyl-4-[2-(4-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]piperazine-1-carboxamide Traditional Name: N-butyl-4-[2-(4-chlorophenyl)-5,6-dimethyl-pyrimidin-4-yl]piperazine-1-carboxamide Formula: C21H28ClN5O MolecularWeight: 401.93292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N1CCN(CC1)C2=NC(=NC(=C2C)C)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCNC(=O)N1CCN(CC1)C2=NC(=NC(=C2C)C)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H28ClN5O/c1-4-5-10-23-21(28)27-13-11-26(12-14-27)20-15(2)16(3)24-19(25-20)17-6-8-18(22)9-7-17/h6-9H,4-5,10-14H2,1-3H3,(H,23,28)