tert-butyl 3-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]carbonyl-4-phenyl-pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 3-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]carbonyl-4-phenyl-pyrrolidine-1-carboxylate Openeye Name: tert-butyl 3-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbonyl]-4-phenyl-pyrrolidine-1-carboxylate CAS Name: 3-[[4-(6-ethyl-4-thieno[2,3-d]pyrimidinyl)-1-piperazinyl]-oxomethyl]-4-phenyl-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbonyl]-4-phenylpyrrolidine-1-carboxylate Traditional Name: 3-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbonyl]-4-phenyl-pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C28H35N5O3S MolecularWeight: 521.6742

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(N=CN=C2S1)N3CCN(CC3)C(=O)C4CN(CC4C5=CC=CC=C5)C(=O)OC(C)(C)C

Isomeric SMILES

CCC1=CC2=C(N=CN=C2S1)N3CCN(CC3)C(=O)C4CN(CC4C5=CC=CC=C5)C(=O)OC(C)(C)C

InChI

InChI=1S/C28H35N5O3S/c1-5-20-15-21-24(29-18-30-25(21)37-20)31-11-13-32(14-12-31)26(34)23-17-33(27(35)36-28(2,3)4)16-22(23)19-9-7-6-8-10-19/h6-10,15,18,22-23H,5,11-14,16-17H2,1-4H3