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

Systemtic Name: 6-(2-chloranyl-6-methylsulfonyl-phenoxy)-N-(1-methylpyrazol-3-yl)quinazolin-4-amine Openeye Name: 6-(2-chloro-6-methylsulfonyl-phenoxy)-N-(1-methylpyrazol-3-yl)quinazolin-4-amine CAS Name: 6-(2-chloro-6-methylsulfonylphenoxy)-N-(1-methyl-3-pyrazolyl)-4-quinazolinamine IUPAC Name: 6-(2-chloro-6-methylsulfonylphenoxy)-N-(1-methylpyrazol-3-yl)quinazolin-4-amine Traditional Name: [6-(2-chloro-6-mesyl-phenoxy)quinazolin-4-yl]-(1-methylpyrazol-3-yl)amine Formula: C19H16ClN5O3S MolecularWeight: 429.88004

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=N1)NC2=NC=NC3=C2C=C(C=C3)OC4=C(C=CC=C4Cl)S(=O)(=O)C

Isomeric SMILES

CN1C=CC(=N1)NC2=NC=NC3=C2C=C(C=C3)OC4=C(C=CC=C4Cl)S(=O)(=O)C

InChI

InChI=1S/C19H16ClN5O3S/c1-25-9-8-17(24-25)23-19-13-10-12(6-7-15(13)21-11-22-19)28-18-14(20)4-3-5-16(18)29(2,26)27/h3-11H,1-2H3,(H,21,22,23,24)