2,5-dimethyl-7-pentylsulfanyl-3-phenyl-6-(phenylmethyl)pyrazolo[1,5-a]pyrimidine

Systemtic Name: 2,5-dimethyl-7-pentylsulfanyl-3-phenyl-6-(phenylmethyl)pyrazolo[1,5-a]pyrimidine Openeye Name: 6-benzyl-2,5-dimethyl-7-pentylsulfanyl-3-phenyl-pyrazolo[1,5-a]pyrimidine CAS Name: 2,5-dimethyl-7-(pentylthio)-3-phenyl-6-(phenylmethyl)pyrazolo[1,5-a]pyrimidine IUPAC Name: 6-benzyl-2,5-dimethyl-7-pentylsulfanyl-3-phenylpyrazolo[1,5-a]pyrimidine Traditional Name: 7-(amylthio)-6-benzyl-2,5-dimethyl-3-phenyl-pyrazolo[1,5-a]pyrimidine Formula: C26H29N3S MolecularWeight: 415.59356

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=C(C(=NC2=C(C(=NN21)C)C3=CC=CC=C3)C)CC4=CC=CC=C4

Isomeric SMILES

CCCCCSC1=C(C(=NC2=C(C(=NN21)C)C3=CC=CC=C3)C)CC4=CC=CC=C4

InChI

InChI=1S/C26H29N3S/c1-4-5-12-17-30-26-23(18-21-13-8-6-9-14-21)19(2)27-25-24(20(3)28-29(25)26)22-15-10-7-11-16-22/h6-11,13-16H,4-5,12,17-18H2,1-3H3