4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)butyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate CAS Name: 2-(4-thieno[2,3-d]pyrimidinylthio)acetic acid 4-(1,3-dioxo-2-isoindolyl)butyl ester IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)butyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate Traditional Name: 2-(thieno[2,3-d]pyrimidin-4-ylthio)acetic acid 4-phthalimidobutyl ester Formula: C20H17N3O4S2 MolecularWeight: 427.49668

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCOC(=O)CSC3=NC=NC4=C3C=CS4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCOC(=O)CSC3=NC=NC4=C3C=CS4

InChI

InChI=1S/C20H17N3O4S2/c24-16(11-29-18-15-7-10-28-17(15)21-12-22-18)27-9-4-3-8-23-19(25)13-5-1-2-6-14(13)20(23)26/h1-2,5-7,10,12H,3-4,8-9,11H2