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

Systemtic Name: 2-[(1,3-benzodioxol-5-ylamino)methyl]-1H-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[(1,3-benzodioxol-5-ylamino)methyl]-1H-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[(1,3-benzodioxol-5-ylamino)methyl]-1H-thieno[3,2-d]pyrimidin-4-one IUPAC Name: 2-[(1,3-benzodioxol-5-ylamino)methyl]-1H-thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[(1,3-benzodioxol-5-ylamino)methyl]-1H-thieno[3,2-d]pyrimidin-4-one Formula: C14H11N3O3S MolecularWeight: 301.32044

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NCC3=NC(=O)C4=C(N3)C=CS4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NCC3=NC(=O)C4=C(N3)C=CS4

InChI

InChI=1S/C14H11N3O3S/c18-14-13-9(3-4-21-13)16-12(17-14)6-15-8-1-2-10-11(5-8)20-7-19-10/h1-5,15H,6-7H2,(H,16,17,18)