5-tert-butyl-N-(4-butylphenyl)-3-(4-chlorophenyl)-2-methyl-pyrazolo[1,5-a]pyrimidin-7-amine

Systemtic Name: 5-tert-butyl-N-(4-butylphenyl)-3-(4-chlorophenyl)-2-methyl-pyrazolo[1,5-a]pyrimidin-7-amine Openeye Name: 5-tert-butyl-N-(4-butylphenyl)-3-(4-chlorophenyl)-2-methyl-pyrazolo[1,5-a]pyrimidin-7-amine CAS Name: 5-tert-butyl-N-(4-butylphenyl)-3-(4-chlorophenyl)-2-methyl-7-pyrazolo[1,5-a]pyrimidinamine IUPAC Name: 5-tert-butyl-N-(4-butylphenyl)-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-amine Traditional Name: [5-tert-butyl-3-(4-chlorophenyl)-2-methyl-pyrazolo[1,5-a]pyrimidin-7-yl]-(4-butylphenyl)amine Formula: C27H31ClN4 MolecularWeight: 447.01484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=CC(=NC3=C(C(=NN23)C)C4=CC=C(C=C4)Cl)C(C)(C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=CC(=NC3=C(C(=NN23)C)C4=CC=C(C=C4)Cl)C(C)(C)C

InChI

InChI=1S/C27H31ClN4/c1-6-7-8-19-9-15-22(16-10-19)29-24-17-23(27(3,4)5)30-26-25(18(2)31-32(24)26)20-11-13-21(28)14-12-20/h9-17,29H,6-8H2,1-5H3