5-but-3-ynyl-7-[(phenylmethyl)amino]pyrazolo[1,5-a]pyrimidine-6-carbonitrile

Systemtic Name: 5-but-3-ynyl-7-[(phenylmethyl)amino]pyrazolo[1,5-a]pyrimidine-6-carbonitrile Openeye Name: 7-(benzylamino)-5-but-3-ynyl-pyrazolo[1,5-a]pyrimidine-6-carbonitrile CAS Name: 5-but-3-ynyl-7-[(phenylmethyl)amino]-6-pyrazolo[1,5-a]pyrimidinecarbonitrile IUPAC Name: 7-(benzylamino)-5-but-3-ynylpyrazolo[1,5-a]pyrimidine-6-carbonitrile Traditional Name: 7-(benzylamino)-5-but-3-ynyl-pyrazolo[1,5-a]pyrimidine-6-carbonitrile Formula: C18H15N5 MolecularWeight: 301.3452

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Descriptors Computed from Structure

Canonical SMILES:

C#CCCC1=NC2=CC=NN2C(=C1C#N)NCC3=CC=CC=C3

Isomeric SMILES

C#CCCC1=NC2=CC=NN2C(=C1C#N)NCC3=CC=CC=C3

InChI

InChI=1S/C18H15N5/c1-2-3-9-16-15(12-19)18(23-17(22-16)10-11-21-23)20-13-14-7-5-4-6-8-14/h1,4-8,10-11,20H,3,9,13H2