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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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