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Ethyl 5-methyl-4-oxo-3-phenyl-2-propyl-amino-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 the aza-Wittig reaction of functionalized imino-phospho-rane with phenyl isocyanate under mild conditions. In the mol-ecule, the fused thienopyrimidine ring system is essentially planar, with a maximum deviation of 0.072 (2) Å, and makes a dihedral angle of 60.11 (9)° with the phenyl ring. An intra-molecular C-H⋯O hydrogen bond is present. The crystal packing is stabilized by inter-molecular N-H⋯O and C-H⋯O hydrogen bonds.

SUBMITTER: Zheng AH

PROVIDER: S-EPMC2969942 | biostudies-literature | 2009 Aug

REPOSITORIES: biostudies-literature

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

Zheng Ai-Hua AH Ren Yan-Mei YM Xu Jing J

Acta crystallographica. Section E, Structure reports online 20090829 Pt 9

The title compound, C(19)H(21)N(3)O(3)S, was synthesized via the aza-Wittig reaction of functionalized imino-phospho-rane with phenyl isocyanate under mild conditions. In the mol-ecule, the fused thienopyrimidine ring system is essentially planar, with a maximum deviation of 0.072 (2) Å, and makes a dihedral angle of 60.11 (9)° with the phenyl ring. An intra-molecular C-H⋯O hydrogen bond is present. The crystal packing is stabilized by inter-molecular N-H⋯O and C-H⋯O hydrogen bonds. ...[more]

PMID: 21577661

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