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

Systemtic Name: 2-azanyl-4-(isoquinolin-3-ylmethyl)-6-pyrazol-1-yl-pyrimidine-5-carbonitrile Openeye Name: 2-amino-4-(3-isoquinolylmethyl)-6-pyrazol-1-yl-pyrimidine-5-carbonitrile CAS Name: 2-amino-4-(3-isoquinolinylmethyl)-6-(1-pyrazolyl)-5-pyrimidinecarbonitrile IUPAC Name: 2-amino-4-(isoquinolin-3-ylmethyl)-6-pyrazol-1-ylpyrimidine-5-carbonitrile Traditional Name: 2-amino-4-(3-isoquinolylmethyl)-6-pyrazol-1-yl-pyrimidine-5-carbonitrile Formula: C18H13N7 MolecularWeight: 327.34272

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=NC(=CC2=C1)CC3=C(C(=NC(=N3)N)N4C=CC=N4)C#N

Isomeric SMILES

C1=CC=C2C=NC(=CC2=C1)CC3=C(C(=NC(=N3)N)N4C=CC=N4)C#N

InChI

InChI=1S/C18H13N7/c19-10-15-16(23-18(20)24-17(15)25-7-3-6-22-25)9-14-8-12-4-1-2-5-13(12)11-21-14/h1-8,11H,9H2,(H2,20,23,24)