2-azanyl-4-(isoquinolin-3-ylmethylamino)-6-pyrazol-1-yl-pyrimidine-5-carbonitrile

Systemtic Name: 2-azanyl-4-(isoquinolin-3-ylmethylamino)-6-pyrazol-1-yl-pyrimidine-5-carbonitrile Openeye Name: 2-amino-4-(3-isoquinolylmethylamino)-6-pyrazol-1-yl-pyrimidine-5-carbonitrile CAS Name: 2-amino-4-(3-isoquinolinylmethylamino)-6-(1-pyrazolyl)-5-pyrimidinecarbonitrile IUPAC Name: 2-amino-4-(isoquinolin-3-ylmethylamino)-6-pyrazol-1-ylpyrimidine-5-carbonitrile Traditional Name: 2-amino-4-(3-isoquinolylmethylamino)-6-pyrazol-1-yl-pyrimidine-5-carbonitrile Formula: C18H14N8 MolecularWeight: 342.35736

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=NC(=CC2=C1)CNC3=NC(=NC(=C3C#N)N4C=CC=N4)N

Isomeric SMILES

C1=CC=C2C=NC(=CC2=C1)CNC3=NC(=NC(=C3C#N)N4C=CC=N4)N

InChI

InChI=1S/C18H14N8/c19-9-15-16(24-18(20)25-17(15)26-7-3-6-23-26)22-11-14-8-12-4-1-2-5-13(12)10-21-14/h1-8,10H,11H2,(H3,20,22,24,25)