1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[3-[7-methoxy-6-(3-methylsulfonylpropoxy)quinazolin-4-yl]sulfanylphenyl]urea

Systemtic Name: 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[3-[7-methoxy-6-(3-methylsulfonylpropoxy)quinazolin-4-yl]sulfanylphenyl]urea Openeye Name: 1-(5-tert-butylisoxazol-3-yl)-3-[3-[7-methoxy-6-(3-methylsulfonylpropoxy)quinazolin-4-yl]sulfanylphenyl]urea CAS Name: 1-(5-tert-butyl-3-isoxazolyl)-3-[3-[[7-methoxy-6-(3-methylsulfonylpropoxy)-4-quinazolinyl]thio]phenyl]urea IUPAC Name: 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[3-[7-methoxy-6-(3-methylsulfonylpropoxy)quinazolin-4-yl]sulfanylphenyl]urea Traditional Name: 1-(5-tert-butylisoxazol-3-yl)-3-[3-[[6-(3-mesylpropoxy)-7-methoxy-quinazolin-4-yl]thio]phenyl]urea Formula: C27H31N5O6S2 MolecularWeight: 585.69494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC(=CC=C2)SC3=NC=NC4=CC(=C(C=C43)OCCCS(=O)(=O)C)OC

Isomeric SMILES

CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC(=CC=C2)SC3=NC=NC4=CC(=C(C=C43)OCCCS(=O)(=O)C)OC

InChI

InChI=1S/C27H31N5O6S2/c1-27(2,3)23-15-24(32-38-23)31-26(33)30-17-8-6-9-18(12-17)39-25-19-13-22(37-10-7-11-40(5,34)35)21(36-4)14-20(19)28-16-29-25/h6,8-9,12-16H,7,10-11H2,1-5H3,(H2,30,31,32,33)