(2S,3S)-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)azaniumyl]-3-methyl-pentanoate

Systemtic Name: (2S,3S)-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)azaniumyl]-3-methyl-pentanoate Openeye Name: (2S,3S)-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)ammonio]-3-methyl-pentanoate CAS Name: (2S,3S)-2-[(6-ethyl-4-thieno[2,3-d]pyrimidinyl)ammonio]-3-methylpentanoate IUPAC Name: (2S,3S)-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)azaniumyl]-3-methylpentanoate Traditional Name: (2S,3S)-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)ammonio]-3-methyl-valerate Formula: C14H19N3O2S MolecularWeight: 293.38456

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(N=CN=C2S1)[NH2+]C(C(C)CC)C(=O)[O-]

Isomeric SMILES

CCC1=CC2=C(N=CN=C2S1)[NH2+][C@@H]([C@@H](C)CC)C(=O)[O-]

InChI

InChI=1S/C14H19N3O2S/c1-4-8(3)11(14(18)19)17-12-10-6-9(5-2)20-13(10)16-7-15-12/h6-8,11H,4-5H2,1-3H3,(H,18,19)(H,15,16,17)/t8-,11-/m0/s1