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2-[[(E)-1-[4-[[4-[6-(hydroxymethyl)pyridin-3-yl]oxy-3-methyl-phenyl]amino]quinazolin-6-yl]-3-(2-methoxyethanoylamino)prop-1-enyl]sulfanylmethyl]-3-oxidanylidene-butanoic acid
2-[[(E)-1-[4-[[4-[6-(hydroxymethyl)pyridin-3-yl]oxy-3-methyl-phenyl]amino]quinazolin-6-yl]-3-(2-methoxyethanoylamino)prop-1-enyl]sulfanylmethyl]-3-oxidanylidene-butanoic acid
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Canonical SMILES:
CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C(=CCNC(=O)COC)SCC(C(=O)C)C(=O)O)OC4=CN=C(C=C4)CO
Isomeric SMILES
CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)/C(=C\CNC(=O)COC)/SCC(C(=O)C)C(=O)O)OC4=CN=C(C=C4)CO
InChI
InChI=1S/C32H33N5O7S/c1-19-12-22(6-9-28(19)44-24-7-5-23(15-38)34-14-24)37-31-25-13-21(4-8-27(25)35-18-36-31)29(10-11-33-30(40)16-43-3)45-17-26(20(2)39)32(41)42/h4-10,12-14,18,26,38H,11,15-17H2,1-3H3,(H,33,40)(H,41,42)(H,35,36,37)/b29-10+
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