N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine IUPAC Name: N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: 1H-pyrazolo[3,4-d]pyrimidin-4-yl-[3-(1,2,4-triazol-1-ylmethyl)phenyl]amine Formula: C14H12N8 MolecularWeight: 292.29868

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=NC=NC3=C2C=NN3)CN4C=NC=N4

Isomeric SMILES

C1=CC(=CC(=C1)NC2=NC=NC3=C2C=NN3)CN4C=NC=N4

InChI

InChI=1S/C14H12N8/c1-2-10(6-22-9-15-7-19-22)4-11(3-1)20-13-12-5-18-21-14(12)17-8-16-13/h1-5,7-9H,6H2,(H2,16,17,18,20,21)