3-(4-chlorophenyl)-1-prop-2-ynyl-pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: 3-(4-chlorophenyl)-1-prop-2-ynyl-pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 3-(4-chlorophenyl)-1-prop-2-ynyl-pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 3-(4-chlorophenyl)-1-prop-2-ynyl-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 3-(4-chlorophenyl)-1-prop-2-ynylpyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [3-(4-chlorophenyl)-1-propargyl-pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C14H10ClN5 MolecularWeight: 283.7157

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C2=C(C(=N1)C3=CC=C(C=C3)Cl)C(=NC=N2)N

Isomeric SMILES

C#CCN1C2=C(C(=N1)C3=CC=C(C=C3)Cl)C(=NC=N2)N

InChI

InChI=1S/C14H10ClN5/c1-2-7-20-14-11(13(16)17-8-18-14)12(19-20)9-3-5-10(15)6-4-9/h1,3-6,8H,7H2,(H2,16,17,18)