6-(4-methyl-2-methylsulfonyl-phenoxy)-N-(1-methylpyrazol-3-yl)quinazolin-4-amine

Systemtic Name: 6-(4-methyl-2-methylsulfonyl-phenoxy)-N-(1-methylpyrazol-3-yl)quinazolin-4-amine Openeye Name: 6-(4-methyl-2-methylsulfonyl-phenoxy)-N-(1-methylpyrazol-3-yl)quinazolin-4-amine CAS Name: 6-(4-methyl-2-methylsulfonylphenoxy)-N-(1-methyl-3-pyrazolyl)-4-quinazolinamine IUPAC Name: 6-(4-methyl-2-methylsulfonylphenoxy)-N-(1-methylpyrazol-3-yl)quinazolin-4-amine Traditional Name: [6-(2-mesyl-4-methyl-phenoxy)quinazolin-4-yl]-(1-methylpyrazol-3-yl)amine Formula: C20H19N5O3S MolecularWeight: 409.46156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC2=CC3=C(C=C2)N=CN=C3NC4=NN(C=C4)C)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC2=CC3=C(C=C2)N=CN=C3NC4=NN(C=C4)C)S(=O)(=O)C

InChI

InChI=1S/C20H19N5O3S/c1-13-4-7-17(18(10-13)29(3,26)27)28-14-5-6-16-15(11-14)20(22-12-21-16)23-19-8-9-25(2)24-19/h4-12H,1-3H3,(H,21,22,23,24)