3-[2-(5-nitro-2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[2-(5-nitro-2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-(5-nitroindolin-1-yl)-2-oxo-ethyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-(5-nitro-2,3-dihydroindol-1-yl)-2-oxoethyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[2-(5-nitro-2,3-dihydroindol-1-yl)-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-keto-2-(5-nitroindolin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-one Formula: C16H12N4O4S MolecularWeight: 356.35588

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=C1C=C(C=C2)[N+](=O)[O-])C(=O)CN3C=NC4=C(C3=O)C=CS4

Isomeric SMILES

C1CN(C2=C1C=C(C=C2)[N+](=O)[O-])C(=O)CN3C=NC4=C(C3=O)C=CS4

InChI

InChI=1S/C16H12N4O4S/c21-14(8-18-9-17-15-12(16(18)22)4-6-25-15)19-5-3-10-7-11(20(23)24)1-2-13(10)19/h1-2,4,6-7,9H,3,5,8H2