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

Systemtic Name: 6-(2-chloranyl-6-cyclopropylsulfonyl-phenoxy)-N-(1-methylpyrazol-3-yl)quinazolin-4-amine Openeye Name: 6-(2-chloro-6-cyclopropylsulfonyl-phenoxy)-N-(1-methylpyrazol-3-yl)quinazolin-4-amine CAS Name: 6-(2-chloro-6-cyclopropylsulfonylphenoxy)-N-(1-methyl-3-pyrazolyl)-4-quinazolinamine IUPAC Name: 6-(2-chloro-6-cyclopropylsulfonylphenoxy)-N-(1-methylpyrazol-3-yl)quinazolin-4-amine Traditional Name: [6-(2-chloro-6-cyclopropylsulfonyl-phenoxy)quinazolin-4-yl]-(1-methylpyrazol-3-yl)amine Formula: C21H18ClN5O3S MolecularWeight: 455.91732

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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)C5CC5

Isomeric SMILES

CN1C=CC(=N1)NC2=NC=NC3=C2C=C(C=C3)OC4=C(C=CC=C4Cl)S(=O)(=O)C5CC5

InChI

InChI=1S/C21H18ClN5O3S/c1-27-10-9-19(26-27)25-21-15-11-13(5-8-17(15)23-12-24-21)30-20-16(22)3-2-4-18(20)31(28,29)14-6-7-14/h2-5,8-12,14H,6-7H2,1H3,(H,23,24,25,26)