6-ethyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 6-ethyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-ethyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 6-ethyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 6-ethyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-ethyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]thieno[2,3-d]pyrimidin-4-one Formula: C17H15N3O5S MolecularWeight: 373.3831

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=CN(C2=O)CC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

CCC1=CC2=C(S1)N=CN(C2=O)CC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C17H15N3O5S/c1-2-13-5-14-16(26-13)18-8-19(17(14)21)6-10-3-12(20(22)23)4-11-7-24-9-25-15(10)11/h3-5,8H,2,6-7,9H2,1H3