ethyl 4-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]piperazine-1-carboxylate CAS Name: 4-[1-oxo-2-[(5-phenyl-4-thieno[2,3-d]pyrimidinyl)thio]ethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H22N4O3S2 MolecularWeight: 442.55438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC=NC3=C2C(=CS3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC=NC3=C2C(=CS3)C4=CC=CC=C4

InChI

InChI=1S/C21H22N4O3S2/c1-2-28-21(27)25-10-8-24(9-11-25)17(26)13-30-20-18-16(15-6-4-3-5-7-15)12-29-19(18)22-14-23-20/h3-7,12,14H,2,8-11,13H2,1H3