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

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

CC1=NC(=C2C=C(SC2=N1)C3=CC=CC=C3)[NH2+]C(CC(C)C)C(=O)[O-]

Isomeric SMILES

CC1=NC(=C2C=C(SC2=N1)C3=CC=CC=C3)[NH2+][C@@H](CC(C)C)C(=O)[O-]

InChI

InChI=1S/C19H21N3O2S/c1-11(2)9-15(19(23)24)22-17-14-10-16(13-7-5-4-6-8-13)25-18(14)21-12(3)20-17/h4-8,10-11,15H,9H2,1-3H3,(H,23,24)(H,20,21,22)/t15-/m0/s1