3-azanyl-4-(1-benzofuran-2-yl)-5-cyano-6-[3-(4-methylpiperazin-1-yl)propylamino]thieno[2,3-b]pyridine-2-carboxamide

Systemtic Name: 3-azanyl-4-(1-benzofuran-2-yl)-5-cyano-6-[3-(4-methylpiperazin-1-yl)propylamino]thieno[2,3-b]pyridine-2-carboxamide Openeye Name: 3-amino-4-(benzofuran-2-yl)-5-cyano-6-[3-(4-methylpiperazin-1-yl)propylamino]thieno[2,3-b]pyridine-2-carboxamide CAS Name: 3-amino-4-(2-benzofuranyl)-5-cyano-6-[3-(4-methyl-1-piperazinyl)propylamino]-2-thieno[2,3-b]pyridinecarboxamide IUPAC Name: 3-amino-4-(1-benzofuran-2-yl)-5-cyano-6-[3-(4-methylpiperazin-1-yl)propylamino]thieno[2,3-b]pyridine-2-carboxamide Traditional Name: 3-amino-4-(benzofuran-2-yl)-5-cyano-6-[3-(4-methylpiperazino)propylamino]thieno[2,3-b]pyridine-2-carboxamide Formula: C25H27N7O2S MolecularWeight: 489.59258

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCNC2=NC3=C(C(=C2C#N)C4=CC5=CC=CC=C5O4)C(=C(S3)C(=O)N)N

Isomeric SMILES

CN1CCN(CC1)CCCNC2=NC3=C(C(=C2C#N)C4=CC5=CC=CC=C5O4)C(=C(S3)C(=O)N)N

InChI

InChI=1S/C25H27N7O2S/c1-31-9-11-32(12-10-31)8-4-7-29-24-16(14-26)19(18-13-15-5-2-3-6-17(15)34-18)20-21(27)22(23(28)33)35-25(20)30-24/h2-3,5-6,13H,4,7-12,27H2,1H3,(H2,28,33)(H,29,30)