4-azanyl-2-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)-6-phenyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)-6-phenyl-pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)-6-phenyl-pyrimidine-5-carbonitrile CAS Name: 4-amino-2-(4-chloro-3,5-dimethyl-1-pyrazolyl)-6-phenyl-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-phenylpyrimidine-5-carbonitrile Traditional Name: 4-amino-2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)-6-phenyl-pyrimidine-5-carbonitrile Formula: C16H13ClN6 MolecularWeight: 324.76762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=NC(=C(C(=N2)N)C#N)C3=CC=CC=C3)C)Cl

Isomeric SMILES

CC1=C(C(=NN1C2=NC(=C(C(=N2)N)C#N)C3=CC=CC=C3)C)Cl

InChI

InChI=1S/C16H13ClN6/c1-9-13(17)10(2)23(22-9)16-20-14(11-6-4-3-5-7-11)12(8-18)15(19)21-16/h3-7H,1-2H3,(H2,19,20,21)