3-cyanopropyl 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylbenzoate

Systemtic Name: 3-cyanopropyl 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylbenzoate Openeye Name: 3-cyanopropyl 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylbenzoate CAS Name: 2-[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)thio]benzoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylbenzoate Traditional Name: 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]benzoic acid 3-cyanopropyl ester Formula: C19H17N3O2S2 MolecularWeight: 383.48718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=NC=N2)SC3=CC=CC=C3C(=O)OCCCC#N)C

Isomeric SMILES

CC1=C(SC2=C1C(=NC=N2)SC3=CC=CC=C3C(=O)OCCCC#N)C

InChI

InChI=1S/C19H17N3O2S2/c1-12-13(2)25-17-16(12)18(22-11-21-17)26-15-8-4-3-7-14(15)19(23)24-10-6-5-9-20/h3-4,7-8,11H,5-6,10H2,1-2H3