N-cyclopropyl-2-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methylsulfanyl]quinazolin-4-amine

Systemtic Name: N-cyclopropyl-2-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methylsulfanyl]quinazolin-4-amine Openeye Name: N-cyclopropyl-2-[[3-(2-methoxyphenyl)isoxazol-5-yl]methylsulfanyl]quinazolin-4-amine CAS Name: N-cyclopropyl-2-[[3-(2-methoxyphenyl)-5-isoxazolyl]methylthio]-4-quinazolinamine IUPAC Name: N-cyclopropyl-2-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methylsulfanyl]quinazolin-4-amine Traditional Name: cyclopropyl-[2-[[3-(2-methoxyphenyl)isoxazol-5-yl]methylthio]quinazolin-4-yl]amine Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NOC(=C2)CSC3=NC4=CC=CC=C4C(=N3)NC5CC5

Isomeric SMILES

COC1=CC=CC=C1C2=NOC(=C2)CSC3=NC4=CC=CC=C4C(=N3)NC5CC5

InChI

InChI=1S/C22H20N4O2S/c1-27-20-9-5-3-6-16(20)19-12-15(28-26-19)13-29-22-24-18-8-4-2-7-17(18)21(25-22)23-14-10-11-14/h2-9,12,14H,10-11,13H2,1H3,(H,23,24,25)