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

Systemtic Name: 2-[(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[(4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)thio]methyl]isoindoline-1,3-quinone Formula: C21H13N3O3S2 MolecularWeight: 419.47622

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)SCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)SCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C21H13N3O3S2/c25-17-16-15(12-6-2-1-3-7-12)10-28-18(16)23-21(22-17)29-11-24-19(26)13-8-4-5-9-14(13)20(24)27/h1-10H,11H2,(H,22,23,25)