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

Systemtic Name: (2S,3S)-2-[(6-ethyl-2-methyl-thieno[2,3-d]pyrimidin-4-yl)azaniumyl]-3-methyl-pentanoate Openeye Name: (2S,3S)-2-[(6-ethyl-2-methyl-thieno[2,3-d]pyrimidin-4-yl)ammonio]-3-methyl-pentanoate CAS Name: (2S,3S)-2-[(6-ethyl-2-methyl-4-thieno[2,3-d]pyrimidinyl)ammonio]-3-methylpentanoate IUPAC Name: (2S,3S)-2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)azaniumyl]-3-methylpentanoate Traditional Name: (2S,3S)-2-[(6-ethyl-2-methyl-thieno[2,3-d]pyrimidin-4-yl)ammonio]-3-methyl-valerate Formula: C15H21N3O2S MolecularWeight: 307.41114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O2S/c1-5-8(3)12(15(19)20)18-13-11-7-10(6-2)21-14(11)17-9(4)16-13/h7-8,12H,5-6H2,1-4H3,(H,19,20)(H,16,17,18)/t8-,12-/m0/s1