2-[2-(3-azanyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-(3-azanyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethyl]isoindole-1,3-dione Openeye Name: 2-[2-(3-amino-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethyl]isoindoline-1,3-dione CAS Name: 2-[2-[(3-amino-4-oxo-5-phenyl-2-thieno[2,3-d]pyrimidinyl)thio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-(3-amino-4-oxo-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylethyl]isoindole-1,3-dione Traditional Name: 2-[2-[(3-amino-4-keto-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]ethyl]isoindoline-1,3-quinone Formula: C22H16N4O3S2 MolecularWeight: 448.51744

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCCN4C(=O)C5=CC=CC=C5C4=O)N

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCCN4C(=O)C5=CC=CC=C5C4=O)N

InChI

InChI=1S/C22H16N4O3S2/c23-26-21(29)17-16(13-6-2-1-3-7-13)12-31-18(17)24-22(26)30-11-10-25-19(27)14-8-4-5-9-15(14)20(25)28/h1-9,12H,10-11,23H2