1-tert-butyl-3-[(3-ethynylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: 1-tert-butyl-3-[(3-ethynylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 1-tert-butyl-3-[(3-ethynylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 1-tert-butyl-3-[(3-ethynylphenyl)methyl]-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 1-tert-butyl-3-[(3-ethynylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [1-tert-butyl-3-(3-ethynylbenzyl)pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C18H19N5 MolecularWeight: 305.37696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C2=C(C(=N1)CC3=CC=CC(=C3)C#C)C(=NC=N2)N

Isomeric SMILES

CC(C)(C)N1C2=C(C(=N1)CC3=CC=CC(=C3)C#C)C(=NC=N2)N

InChI

InChI=1S/C18H19N5/c1-5-12-7-6-8-13(9-12)10-14-15-16(19)20-11-21-17(15)23(22-14)18(2,3)4/h1,6-9,11H,10H2,2-4H3,(H2,19,20,21)