4-tert-butyl-2-[[4-(pyridin-4-ylmethyl)phthalazin-1-yl]amino]-1,3-thiazole-5-carbonitrile

Systemtic Name: 4-tert-butyl-2-[[4-(pyridin-4-ylmethyl)phthalazin-1-yl]amino]-1,3-thiazole-5-carbonitrile Openeye Name: 4-tert-butyl-2-[[4-(4-pyridylmethyl)phthalazin-1-yl]amino]thiazole-5-carbonitrile CAS Name: 4-tert-butyl-2-[[4-(pyridin-4-ylmethyl)-1-phthalazinyl]amino]-5-thiazolecarbonitrile IUPAC Name: 4-tert-butyl-2-[[4-(pyridin-4-ylmethyl)phthalazin-1-yl]amino]-1,3-thiazole-5-carbonitrile Traditional Name: 4-tert-butyl-2-[[4-(4-pyridylmethyl)phthalazin-1-yl]amino]thiazole-5-carbonitrile Formula: C22H20N6S MolecularWeight: 400.4994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(SC(=N1)NC2=NN=C(C3=CC=CC=C32)CC4=CC=NC=C4)C#N

Isomeric SMILES

CC(C)(C)C1=C(SC(=N1)NC2=NN=C(C3=CC=CC=C32)CC4=CC=NC=C4)C#N

InChI

InChI=1S/C22H20N6S/c1-22(2,3)19-18(13-23)29-21(25-19)26-20-16-7-5-4-6-15(16)17(27-28-20)12-14-8-10-24-11-9-14/h4-11H,12H2,1-3H3,(H,25,26,28)