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

Systemtic Name: (2S,3R)-3-methyl-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)azaniumyl]pentanoate Openeye Name: (2S,3R)-3-methyl-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)ammonio]pentanoate CAS Name: (2S,3R)-3-methyl-2-[(6-methyl-4-thieno[2,3-d]pyrimidinyl)ammonio]pentanoate IUPAC Name: (2S,3R)-3-methyl-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)azaniumyl]pentanoate Traditional Name: (2S,3R)-3-methyl-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)ammonio]valerate Formula: C13H17N3O2S MolecularWeight: 279.35798

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])[NH2+]C1=C2C=C(SC2=NC=N1)C

Isomeric SMILES

CC[C@@H](C)[C@@H](C(=O)[O-])[NH2+]C1=C2C=C(SC2=NC=N1)C

InChI

InChI=1S/C13H17N3O2S/c1-4-7(2)10(13(17)18)16-11-9-5-8(3)19-12(9)15-6-14-11/h5-7,10H,4H2,1-3H3,(H,17,18)(H,14,15,16)/t7-,10+/m1/s1