2-[4-(4-oxidanylidene-3-prop-2-enyl-thieno[3,2-d]pyrimidin-2-yl)sulfanylbutyl]isoindole-1,3-dione

Systemtic Name: 2-[4-(4-oxidanylidene-3-prop-2-enyl-thieno[3,2-d]pyrimidin-2-yl)sulfanylbutyl]isoindole-1,3-dione Openeye Name: 2-[4-(3-allyl-4-oxo-thieno[3,2-d]pyrimidin-2-yl)sulfanylbutyl]isoindoline-1,3-dione CAS Name: 2-[4-[(4-oxo-3-prop-2-enyl-2-thieno[3,2-d]pyrimidinyl)thio]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-(4-oxo-3-prop-2-enylthieno[3,2-d]pyrimidin-2-yl)sulfanylbutyl]isoindole-1,3-dione Traditional Name: 2-[4-[(3-allyl-4-keto-thieno[3,2-d]pyrimidin-2-yl)thio]butyl]isoindoline-1,3-quinone Formula: C21H19N3O3S2 MolecularWeight: 425.52386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=CS2)N=C1SCCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C=CCN1C(=O)C2=C(C=CS2)N=C1SCCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H19N3O3S2/c1-2-10-24-20(27)17-16(9-13-28-17)22-21(24)29-12-6-5-11-23-18(25)14-7-3-4-8-15(14)19(23)26/h2-4,7-9,13H,1,5-6,10-12H2