N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-6-[5-[2-methylsulfinyl-1-(prop-2-ynylamino)ethyl]furan-2-yl]quinazolin-4-amine

Systemtic Name: N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-6-[5-[2-methylsulfinyl-1-(prop-2-ynylamino)ethyl]furan-2-yl]quinazolin-4-amine Openeye Name: N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-6-[5-[2-methylsulfinyl-1-(prop-2-ynylamino)ethyl]-2-furyl]quinazolin-4-amine CAS Name: N-[1-[(3-fluorophenyl)methyl]-5-indazolyl]-6-[5-[2-methylsulfinyl-1-(prop-2-ynylamino)ethyl]-2-furanyl]-4-quinazolinamine IUPAC Name: N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-6-[5-[2-methylsulfinyl-1-(prop-2-ynylamino)ethyl]furan-2-yl]quinazolin-4-amine Traditional Name: [1-(3-fluorobenzyl)indazol-5-yl]-[6-[5-[2-methylsulfinyl-1-(propargylamino)ethyl]-2-furyl]quinazolin-4-yl]amine Formula: C32H27FN6O2S MolecularWeight: 578.659183

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)CC(C1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC5=C(C=C4)N(N=C5)CC6=CC(=CC=C6)F)NCC#C

Isomeric SMILES

CS(=O)CC(C1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC5=C(C=C4)N(N=C5)CC6=CC(=CC=C6)F)NCC#C

InChI

InChI=1S/C32H27FN6O2S/c1-3-13-34-28(19-42(2)40)31-12-11-30(41-31)22-7-9-27-26(16-22)32(36-20-35-27)38-25-8-10-29-23(15-25)17-37-39(29)18-21-5-4-6-24(33)14-21/h1,4-12,14-17,20,28,34H,13,18-19H2,2H3,(H,35,36,38)