6-but-1-ynyl-4-[[4-(6-methylpyridin-3-yl)oxyphenyl]amino]-4H-quinazoline-3-carboxamide

Systemtic Name: 6-but-1-ynyl-4-[[4-(6-methylpyridin-3-yl)oxyphenyl]amino]-4H-quinazoline-3-carboxamide Openeye Name: 6-but-1-ynyl-4-[4-[(6-methyl-3-pyridyl)oxy]anilino]-4H-quinazoline-3-carboxamide CAS Name: 6-but-1-ynyl-4-[4-[(6-methyl-3-pyridinyl)oxy]anilino]-4H-quinazoline-3-carboxamide IUPAC Name: 6-but-1-ynyl-4-[4-(6-methylpyridin-3-yl)oxyanilino]-4H-quinazoline-3-carboxamide Traditional Name: 6-but-1-ynyl-4-[4-[(6-methyl-3-pyridyl)oxy]anilino]-4H-quinazoline-3-carboxamide Formula: C25H23N5O2 MolecularWeight: 425.48242

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CC1=CC2=C(C=C1)N=CN(C2NC3=CC=C(C=C3)OC4=CN=C(C=C4)C)C(=O)N

Isomeric SMILES

CCC#CC1=CC2=C(C=C1)N=CN(C2NC3=CC=C(C=C3)OC4=CN=C(C=C4)C)C(=O)N

InChI

InChI=1S/C25H23N5O2/c1-3-4-5-18-7-13-23-22(14-18)24(30(16-28-23)25(26)31)29-19-8-11-20(12-9-19)32-21-10-6-17(2)27-15-21/h6-16,24,29H,3H2,1-2H3,(H2,26,31)