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

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-2-(diethylaminomethyl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(1,3-benzodioxol-5-yl)-2-(diethylaminomethyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(1,3-benzodioxol-5-yl)-2-(diethylaminomethyl)-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-(1,3-benzodioxol-5-yl)-2-(diethylaminomethyl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(1,3-benzodioxol-5-yl)-2-(diethylaminomethyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=NC2=C(C(=CS2)C3=CC4=C(C=C3)OCO4)C(=O)N1

Isomeric SMILES

CCN(CC)CC1=NC2=C(C(=CS2)C3=CC4=C(C=C3)OCO4)C(=O)N1

InChI

InChI=1S/C18H19N3O3S/c1-3-21(4-2)8-15-19-17(22)16-12(9-25-18(16)20-15)11-5-6-13-14(7-11)24-10-23-13/h5-7,9H,3-4,8,10H2,1-2H3,(H,19,20,22)