tert-butyl 4-(2-cyclopropyl-4,5-dimethyl-thieno[2,3-d]pyrimidin-6-yl)carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(2-cyclopropyl-4,5-dimethyl-thieno[2,3-d]pyrimidin-6-yl)carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-(2-cyclopropyl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carbonyl)piperazine-1-carboxylate CAS Name: 4-[(2-cyclopropyl-4,5-dimethyl-6-thieno[2,3-d]pyrimidinyl)-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperazine-1-carboxylate Traditional Name: 4-(2-cyclopropyl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carbonyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)C)C3CC3)C(=O)N4CCN(CC4)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)C)C3CC3)C(=O)N4CCN(CC4)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H28N4O3S/c1-12-15-13(2)22-17(14-6-7-14)23-18(15)29-16(12)19(26)24-8-10-25(11-9-24)20(27)28-21(3,4)5/h14H,6-11H2,1-5H3