N-hexyl-2,5-dimethyl-3-phenyl-6-(phenylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

Systemtic Name: N-hexyl-2,5-dimethyl-3-phenyl-6-(phenylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine Openeye Name: 6-benzyl-N-hexyl-2,5-dimethyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-amine CAS Name: N-hexyl-2,5-dimethyl-3-phenyl-6-(phenylmethyl)-7-pyrazolo[1,5-a]pyrimidinamine IUPAC Name: 6-benzyl-N-hexyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine Traditional Name: (6-benzyl-2,5-dimethyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)-hexyl-amine Formula: C27H32N4 MolecularWeight: 412.56978

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=C(C(=NC2=C(C(=NN21)C)C3=CC=CC=C3)C)CC4=CC=CC=C4

Isomeric SMILES

CCCCCCNC1=C(C(=NC2=C(C(=NN21)C)C3=CC=CC=C3)C)CC4=CC=CC=C4

InChI

InChI=1S/C27H32N4/c1-4-5-6-13-18-28-26-24(19-22-14-9-7-10-15-22)20(2)29-27-25(21(3)30-31(26)27)23-16-11-8-12-17-23/h7-12,14-17,28H,4-6,13,18-19H2,1-3H3