5-butyl-2-phenyl-3-(4-phenylsulfanylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine

Systemtic Name: 5-butyl-2-phenyl-3-(4-phenylsulfanylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine Openeye Name: 5-butyl-2-phenyl-3-(4-phenylsulfanylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine CAS Name: 5-butyl-2-phenyl-3-[4-(phenylthio)phenyl]-7-pyrazolo[1,5-a]pyrimidinamine IUPAC Name: 5-butyl-2-phenyl-3-(4-phenylsulfanylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine Traditional Name: [5-butyl-2-phenyl-3-[4-(phenylthio)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]amine Formula: C28H26N4S MolecularWeight: 450.59784

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C(=NN2C(=C1)N)C3=CC=CC=C3)C4=CC=C(C=C4)SC5=CC=CC=C5

Isomeric SMILES

CCCCC1=NC2=C(C(=NN2C(=C1)N)C3=CC=CC=C3)C4=CC=C(C=C4)SC5=CC=CC=C5

InChI

InChI=1S/C28H26N4S/c1-2-3-12-22-19-25(29)32-28(30-22)26(27(31-32)21-10-6-4-7-11-21)20-15-17-24(18-16-20)33-23-13-8-5-9-14-23/h4-11,13-19H,2-3,12,29H2,1H3