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7-butoxy-3-[4-(diethylamino)but-2-ynyl]quinazolin-4-one; ethanedioic acid
7-butoxy-3-[4-(diethylamino)but-2-ynyl]quinazolin-4-one; ethanedioic acid
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Canonical SMILES:
CCCCOC1=CC2=C(C=C1)C(=O)N(C=N2)CC#CCN(CC)CC.CCCCOC1=CC2=C(C=C1)C(=O)N(C=N2)CC#CCN(CC)CC.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O
Isomeric SMILES
CCCCOC1=CC2=C(C=C1)C(=O)N(C=N2)CC#CCN(CC)CC.CCCCOC1=CC2=C(C=C1)C(=O)N(C=N2)CC#CCN(CC)CC.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O
InChI
InChI=1S/2C20H27N3O2.3C2H2O4/c2*1-4-7-14-25-17-10-11-18-19(15-17)21-16-23(20(18)24)13-9-8-12-22(5-2)6-3;3*3-1(4)2(5)6/h2*10-11,15-16H,4-7,12-14H2,1-3H3;3*(H,3,4)(H,5,6)

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