6-ethyl-3-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 6-ethyl-3-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-ethyl-3-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]thieno[2,3-d]pyrimidin-4-one CAS Name: 6-ethyl-3-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 6-ethyl-3-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-ethyl-3-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]thieno[2,3-d]pyrimidin-4-one Formula: C16H12N4O5S MolecularWeight: 372.35528

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=CN(C2=O)N=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4

Isomeric SMILES

CCC1=CC2=C(S1)N=CN(C2=O)/N=C\C3=CC4=C(C=C3[N+](=O)[O-])OCO4

InChI

InChI=1S/C16H12N4O5S/c1-2-10-4-11-15(26-10)17-7-19(16(11)21)18-6-9-3-13-14(25-8-24-13)5-12(9)20(22)23/h3-7H,2,8H2,1H3/b18-6-