2-[[5-[4-[(4-phenylmethoxyphenyl)amino]quinazolin-6-yl]furan-2-yl]methylamino]ethanesulfonic acid

Systemtic Name: 2-[[5-[4-[(4-phenylmethoxyphenyl)amino]quinazolin-6-yl]furan-2-yl]methylamino]ethanesulfonic acid Openeye Name: 2-[[5-[4-(4-benzyloxyanilino)quinazolin-6-yl]-2-furyl]methylamino]ethanesulfonic acid CAS Name: 2-[[5-[4-(4-phenylmethoxyanilino)-6-quinazolinyl]-2-furanyl]methylamino]ethanesulfonic acid IUPAC Name: 2-[[5-[4-(4-phenylmethoxyanilino)quinazolin-6-yl]furan-2-yl]methylamino]ethanesulfonic acid Traditional Name: 2-[[5-[4-(4-benzoxyanilino)quinazolin-6-yl]-2-furyl]methylamino]ethanesulfonic acid Formula: C28H26N4O5S MolecularWeight: 530.59484

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)C5=CC=C(O5)CNCCS(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)C5=CC=C(O5)CNCCS(=O)(=O)O

InChI

InChI=1S/C28H26N4O5S/c33-38(34,35)15-14-29-17-24-11-13-27(37-24)21-6-12-26-25(16-21)28(31-19-30-26)32-22-7-9-23(10-8-22)36-18-20-4-2-1-3-5-20/h1-13,16,19,29H,14-15,17-18H2,(H,30,31,32)(H,33,34,35)