3-azanyl-4-[4-(1,3-benzoxazol-6-yl)-1,4-diazepan-1-yl]thieno[2,3-b]pyridine-2-carboxamide

Systemtic Name: 3-azanyl-4-[4-(1,3-benzoxazol-6-yl)-1,4-diazepan-1-yl]thieno[2,3-b]pyridine-2-carboxamide Openeye Name: 3-amino-4-[4-(1,3-benzoxazol-6-yl)-1,4-diazepan-1-yl]thieno[2,3-b]pyridine-2-carboxamide CAS Name: 3-amino-4-[4-(1,3-benzoxazol-6-yl)-1,4-diazepan-1-yl]-2-thieno[2,3-b]pyridinecarboxamide IUPAC Name: 3-amino-4-[4-(1,3-benzoxazol-6-yl)-1,4-diazepan-1-yl]thieno[2,3-b]pyridine-2-carboxamide Traditional Name: 3-amino-4-[4-(1,3-benzoxazol-6-yl)-1,4-diazepan-1-yl]thieno[2,3-b]pyridine-2-carboxamide Formula: C20H20N6O2S MolecularWeight: 408.4768

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=C3C(=C(SC3=NC=C2)C(=O)N)N)C4=CC5=C(C=C4)N=CO5

Isomeric SMILES

C1CN(CCN(C1)C2=C3C(=C(SC3=NC=C2)C(=O)N)N)C4=CC5=C(C=C4)N=CO5

InChI

InChI=1S/C20H20N6O2S/c21-17-16-14(4-5-23-20(16)29-18(17)19(22)27)26-7-1-6-25(8-9-26)12-2-3-13-15(10-12)28-11-24-13/h2-5,10-11H,1,6-9,21H2,(H2,22,27)