1-[4-(6-azanylpyrimidin-4-yl)oxyphenyl]-3-[5-tert-butyl-2-(4-methylsulfonylphenyl)pyrazol-3-yl]urea

Systemtic Name: 1-[4-(6-azanylpyrimidin-4-yl)oxyphenyl]-3-[5-tert-butyl-2-(4-methylsulfonylphenyl)pyrazol-3-yl]urea Openeye Name: 1-[4-(6-aminopyrimidin-4-yl)oxyphenyl]-3-[5-tert-butyl-2-(4-methylsulfonylphenyl)pyrazol-3-yl]urea CAS Name: 1-[4-[(6-amino-4-pyrimidinyl)oxy]phenyl]-3-[5-tert-butyl-2-(4-methylsulfonylphenyl)-3-pyrazolyl]urea IUPAC Name: 1-[4-(6-aminopyrimidin-4-yl)oxyphenyl]-3-[5-tert-butyl-2-(4-methylsulfonylphenyl)pyrazol-3-yl]urea Traditional Name: 1-[4-(6-aminopyrimidin-4-yl)oxyphenyl]-3-[5-tert-butyl-2-(4-mesylphenyl)pyrazol-3-yl]urea Formula: C25H27N7O4S MolecularWeight: 521.59138

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)OC3=NC=NC(=C3)N)C4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=CC=C(C=C2)OC3=NC=NC(=C3)N)C4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C25H27N7O4S/c1-25(2,3)20-13-22(32(31-20)17-7-11-19(12-8-17)37(4,34)35)30-24(33)29-16-5-9-18(10-6-16)36-23-14-21(26)27-15-28-23/h5-15H,1-4H3,(H2,26,27,28)(H2,29,30,33)