methyl 2-[(2S)-3-oxidanylidene-1-thieno[2,3-d]pyrimidin-4-yl-piperazin-2-yl]ethanoate

Systemtic Name: methyl 2-[(2S)-3-oxidanylidene-1-thieno[2,3-d]pyrimidin-4-yl-piperazin-2-yl]ethanoate Openeye Name: methyl 2-[(2S)-3-oxo-1-thieno[2,3-d]pyrimidin-4-yl-piperazin-2-yl]acetate CAS Name: 2-[(2S)-3-oxo-1-(4-thieno[2,3-d]pyrimidinyl)-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[(2S)-3-oxo-1-thieno[2,3-d]pyrimidin-4-ylpiperazin-2-yl]acetate Traditional Name: 2-[(2S)-3-keto-1-thieno[2,3-d]pyrimidin-4-yl-piperazin-2-yl]acetic acid methyl ester Formula: C13H14N4O3S MolecularWeight: 306.34026

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1C(=O)NCCN1C2=C3C=CSC3=NC=N2

Isomeric SMILES

COC(=O)C[C@H]1C(=O)NCCN1C2=C3C=CSC3=NC=N2

InChI

InChI=1S/C13H14N4O3S/c1-20-10(18)6-9-12(19)14-3-4-17(9)11-8-2-5-21-13(8)16-7-15-11/h2,5,7,9H,3-4,6H2,1H3,(H,14,19)/t9-/m0/s1