ethyl 4-[2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanoylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]piperidine-1-carboxylate CAS Name: 4-[[1-oxo-2-[(6-phenyl-4-thieno[2,3-d]pyrimidinyl)thio]ethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)thio]acetyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C22H24N4O3S2 MolecularWeight: 456.58096

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)CSC2=NC=NC3=C2C=C(S3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)CSC2=NC=NC3=C2C=C(S3)C4=CC=CC=C4

InChI

InChI=1S/C22H24N4O3S2/c1-2-29-22(28)26-10-8-16(9-11-26)25-19(27)13-30-20-17-12-18(15-6-4-3-5-7-15)31-21(17)24-14-23-20/h3-7,12,14,16H,2,8-11,13H2,1H3,(H,25,27)