2-[(1,3-benzodioxol-5-ylamino)methyl]-5-(furan-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(1,3-benzodioxol-5-ylamino)methyl]-5-(furan-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(1,3-benzodioxol-5-ylamino)methyl]-5-(2-furyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(1,3-benzodioxol-5-ylamino)methyl]-5-(2-furanyl)-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(1,3-benzodioxol-5-ylamino)methyl]-5-(furan-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(1,3-benzodioxol-5-ylamino)methyl]-5-(2-furyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C18H13N3O4S MolecularWeight: 367.37852

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NCC3=NC4=C(C(=CS4)C5=CC=CO5)C(=O)N3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NCC3=NC4=C(C(=CS4)C5=CC=CO5)C(=O)N3

InChI

InChI=1S/C18H13N3O4S/c22-17-16-11(12-2-1-5-23-12)8-26-18(16)21-15(20-17)7-19-10-3-4-13-14(6-10)25-9-24-13/h1-6,8,19H,7,9H2,(H,20,21,22)