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

Systemtic Name: (2S,3S)-3-methyl-2-[(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)azaniumyl]pentanoate Openeye Name: (2S,3S)-3-methyl-2-[(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)ammonio]pentanoate CAS Name: (2S,3S)-3-methyl-2-[(2-methyl-6-phenyl-4-thieno[2,3-d]pyrimidinyl)ammonio]pentanoate IUPAC Name: (2S,3S)-3-methyl-2-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)azaniumyl]pentanoate Traditional Name: (2S,3S)-3-methyl-2-[(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)ammonio]valerate Formula: C19H21N3O2S MolecularWeight: 355.45394

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])[NH2+]C1=C2C=C(SC2=NC(=N1)C)C3=CC=CC=C3

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)[O-])[NH2+]C1=C2C=C(SC2=NC(=N1)C)C3=CC=CC=C3

InChI

InChI=1S/C19H21N3O2S/c1-4-11(2)16(19(23)24)22-17-14-10-15(13-8-6-5-7-9-13)25-18(14)21-12(3)20-17/h5-11,16H,4H2,1-3H3,(H,23,24)(H,20,21,22)/t11-,16-/m0/s1