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Ethyl 2-isopropyl-amino-5-methyl-4-oxo-3-phenyl-3,4-dihydro-thieno[2,3-d]pyrimidine-6-carboxyl-ate.

ABSTRACT: The title compound, C(19)H(21)N(3)O(3)S, was synthesized via an aza-Wittig reaction of a functionalized imino-phospho-rane with phenyl isocyanate under mild conditions. In the mol-ecule, the fused thienopyrimidine ring system makes a dihedral angle of 66.30?(11)° with the phenyl ring. An intra-molecular C-H?O hydrogen bond occurs. The terminal -OCH(2)CH(3) group is disordered over two sites with refined occupancies of 0.537?(13) and 0.463?(13). The crystal packing is stabilized by inter-molecular C-H?O and N-H?O hydrogen bonds.

SUBMITTER: Zheng AH

PROVIDER: S-EPMC2971898 | biostudies-other | 2009

REPOSITORIES: biostudies-other

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Ethyl 2-isopropyl-amino-5-methyl-4-oxo-3-phenyl-3,4-dihydro-thieno[2,3-d]pyrimidine-6-carboxyl-ate.

Zheng Ai-Hua AH Huang Liang-Yong LY Chen E E Luo Hong H

Acta crystallographica. Section E, Structure reports online 20091104 Pt 12

The title compound, C(19)H(21)N(3)O(3)S, was synthesized via an aza-Wittig reaction of a functionalized imino-phospho-rane with phenyl isocyanate under mild conditions. In the mol-ecule, the fused thienopyrimidine ring system makes a dihedral angle of 66.30 (11)° with the phenyl ring. An intra-molecular C-H⋯O hydrogen bond occurs. The terminal -OCH(2)CH(3) group is disordered over two sites with refined occupancies of 0.537 (13) and 0.463 (13). The crystal packing is stabilized by inter-molecula ...[more]

PMID: 21578733

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