1-[4-(4-azanyl-5-oxidanylidene-pyrido[2,3-d]pyrimidin-8-yl)phenyl]-3-[5-tert-butyl-2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]urea

Systemtic Name: 1-[4-(4-azanyl-5-oxidanylidene-pyrido[2,3-d]pyrimidin-8-yl)phenyl]-3-[5-tert-butyl-2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]urea Openeye Name: 1-[4-(4-amino-5-oxo-pyrido[2,3-d]pyrimidin-8-yl)phenyl]-3-[5-tert-butyl-2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]urea CAS Name: 1-[4-(4-amino-5-oxo-8-pyrido[2,3-d]pyrimidinyl)phenyl]-3-[5-tert-butyl-2-[4-(trifluoromethyl)phenyl]-3-pyrazolyl]urea IUPAC Name: 1-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]-3-[5-tert-butyl-2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]urea Traditional Name: 1-[4-(4-amino-5-keto-pyrido[2,3-d]pyrimidin-8-yl)phenyl]-3-[5-tert-butyl-2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]urea Formula: C28H25F3N8O2 MolecularWeight: 562.54571

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=CC=C(C=C2)N3C=CC(=O)C4=C3N=CN=C4N)C5=CC=C(C=C5)C(F)(F)F

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=CC=C(C=C2)N3C=CC(=O)C4=C3N=CN=C4N)C5=CC=C(C=C5)C(F)(F)F

InChI

InChI=1S/C28H25F3N8O2/c1-27(2,3)21-14-22(39(37-21)19-8-4-16(5-9-19)28(29,30)31)36-26(41)35-17-6-10-18(11-7-17)38-13-12-20(40)23-24(32)33-15-34-25(23)38/h4-15H,1-3H3,(H2,32,33,34)(H2,35,36,41)