2-(azepan-1-ylmethyl)-5-(furan-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-(azepan-1-ylmethyl)-5-(furan-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-(azepan-1-ylmethyl)-5-(2-furyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-(1-azepanylmethyl)-5-(2-furanyl)-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-(azepan-1-ylmethyl)-5-(furan-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-(azepan-1-ylmethyl)-5-(2-furyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C17H19N3O2S MolecularWeight: 329.41666

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2=NC3=C(C(=CS3)C4=CC=CO4)C(=O)N2

Isomeric SMILES

C1CCCN(CC1)CC2=NC3=C(C(=CS3)C4=CC=CO4)C(=O)N2

InChI

InChI=1S/C17H19N3O2S/c21-16-15-12(13-6-5-9-22-13)11-23-17(15)19-14(18-16)10-20-7-3-1-2-4-8-20/h5-6,9,11H,1-4,7-8,10H2,(H,18,19,21)