2-[(3,6-diethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]isoindole-1,3-dione

Systemtic Name: 2-[(3,6-diethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[(3,6-diethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[(3,6-diethyl-4-oxo-2-thieno[2,3-d]pyrimidinyl)thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[(3,6-diethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[(3,6-diethyl-4-keto-thieno[2,3-d]pyrimidin-2-yl)thio]methyl]isoindoline-1,3-quinone Formula: C19H17N3O3S2 MolecularWeight: 399.48658

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=C(N(C2=O)CC)SCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCC1=CC2=C(S1)N=C(N(C2=O)CC)SCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C19H17N3O3S2/c1-3-11-9-14-15(27-11)20-19(21(4-2)18(14)25)26-10-22-16(23)12-7-5-6-8-13(12)17(22)24/h5-9H,3-4,10H2,1-2H3