2-[3-(5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)propyl]isoindole-1,3-dione

Systemtic Name: 2-[3-(5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)propyl]isoindole-1,3-dione Openeye Name: 2-[3-(5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)propyl]isoindoline-1,3-dione CAS Name: 2-[3-(5,6-dimethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl)propyl]isoindole-1,3-dione IUPAC Name: 2-[3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propyl]isoindole-1,3-dione Traditional Name: 2-[3-(4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-3-yl)propyl]isoindoline-1,3-quinone Formula: C19H17N3O3S MolecularWeight: 367.42158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CCCN3C(=O)C4=CC=CC=C4C3=O)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CCCN3C(=O)C4=CC=CC=C4C3=O)C

InChI

InChI=1S/C19H17N3O3S/c1-11-12(2)26-16-15(11)19(25)21(10-20-16)8-5-9-22-17(23)13-6-3-4-7-14(13)18(22)24/h3-4,6-7,10H,5,8-9H2,1-2H3