6-[3-(1,3-benzoxazol-2-ylsulfanyl)propoxy]-7-methoxy-N-(4-methoxyphenyl)quinazolin-4-amine

Systemtic Name: 6-[3-(1,3-benzoxazol-2-ylsulfanyl)propoxy]-7-methoxy-N-(4-methoxyphenyl)quinazolin-4-amine Openeye Name: 6-[3-(1,3-benzoxazol-2-ylsulfanyl)propoxy]-7-methoxy-N-(4-methoxyphenyl)quinazolin-4-amine CAS Name: 6-[3-(1,3-benzoxazol-2-ylthio)propoxy]-7-methoxy-N-(4-methoxyphenyl)-4-quinazolinamine IUPAC Name: 6-[3-(1,3-benzoxazol-2-ylsulfanyl)propoxy]-7-methoxy-N-(4-methoxyphenyl)quinazolin-4-amine Traditional Name: [6-[3-(1,3-benzoxazol-2-ylthio)propoxy]-7-methoxy-quinazolin-4-yl]-(4-methoxyphenyl)amine Formula: C26H24N4O4S MolecularWeight: 488.55816

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=NC=NC3=CC(=C(C=C32)OCCCSC4=NC5=CC=CC=C5O4)OC

Isomeric SMILES

COC1=CC=C(C=C1)NC2=NC=NC3=CC(=C(C=C32)OCCCSC4=NC5=CC=CC=C5O4)OC

InChI

InChI=1S/C26H24N4O4S/c1-31-18-10-8-17(9-11-18)29-25-19-14-24(23(32-2)15-21(19)27-16-28-25)33-12-5-13-35-26-30-20-6-3-4-7-22(20)34-26/h3-4,6-11,14-16H,5,12-13H2,1-2H3,(H,27,28,29)