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

Systemtic Name: 2-[(3-cyclopentyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[(3-cyclopentyl-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[(3-cyclopentyl-4-oxo-5-phenyl-2-thieno[2,3-d]pyrimidinyl)thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[(3-cyclopentyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[(3-cyclopentyl-4-keto-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]methyl]isoindoline-1,3-quinone Formula: C26H21N3O3S2 MolecularWeight: 487.59324

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=O)C3=C(N=C2SCN4C(=O)C5=CC=CC=C5C4=O)SC=C3C6=CC=CC=C6

Isomeric SMILES

C1CCC(C1)N2C(=O)C3=C(N=C2SCN4C(=O)C5=CC=CC=C5C4=O)SC=C3C6=CC=CC=C6

InChI

InChI=1S/C26H21N3O3S2/c30-23-18-12-6-7-13-19(18)24(31)28(23)15-34-26-27-22-21(25(32)29(26)17-10-4-5-11-17)20(14-33-22)16-8-2-1-3-9-16/h1-3,6-9,12-14,17H,4-5,10-11,15H2