5-[[4-(cyclopropylamino)quinazolin-2-yl]sulfanylmethyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile

Systemtic Name: 5-[[4-(cyclopropylamino)quinazolin-2-yl]sulfanylmethyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 5-[[4-(cyclopropylamino)quinazolin-2-yl]sulfanylmethyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile CAS Name: 5-[[[4-(cyclopropylamino)-2-quinazolinyl]thio]methyl]-3-methyl-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 5-[[4-(cyclopropylamino)quinazolin-2-yl]sulfanylmethyl]-3-methyl-1-phenylpyrazole-4-carbonitrile Traditional Name: 5-[[[4-(cyclopropylamino)quinazolin-2-yl]thio]methyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile Formula: C23H20N6S MolecularWeight: 412.5101

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)CSC2=NC3=CC=CC=C3C(=N2)NC4CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=C1C#N)CSC2=NC3=CC=CC=C3C(=N2)NC4CC4)C5=CC=CC=C5

InChI

InChI=1S/C23H20N6S/c1-15-19(13-24)21(29(28-15)17-7-3-2-4-8-17)14-30-23-26-20-10-6-5-9-18(20)22(27-23)25-16-11-12-16/h2-10,16H,11-12,14H2,1H3,(H,25,26,27)