2-[(5-cyclopropyl-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]isoindole-1,3-dione

Systemtic Name: 2-[(5-cyclopropyl-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[(3-allyl-5-cyclopropyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[(5-cyclopropyl-4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[(5-cyclopropyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[(3-allyl-5-cyclopropyl-4-keto-thieno[2,3-d]pyrimidin-2-yl)thio]methyl]isoindoline-1,3-quinone Formula: C21H17N3O3S2 MolecularWeight: 423.50798

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCN3C(=O)C4=CC=CC=C4C3=O)SC=C2C5CC5

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCN3C(=O)C4=CC=CC=C4C3=O)SC=C2C5CC5

InChI

InChI=1S/C21H17N3O3S2/c1-2-9-23-20(27)16-15(12-7-8-12)10-28-17(16)22-21(23)29-11-24-18(25)13-5-3-4-6-14(13)19(24)26/h2-6,10,12H,1,7-9,11H2