(2S)-2-[(2-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)azaniumyl]pentanoate

Systemtic Name: (2S)-2-[(2-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)azaniumyl]pentanoate Openeye Name: (2S)-2-[(2-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)ammonio]pentanoate CAS Name: (2S)-2-[(2-methyl-5-phenyl-4-thieno[2,3-d]pyrimidinyl)ammonio]pentanoate IUPAC Name: (2S)-2-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)azaniumyl]pentanoate Traditional Name: (2S)-2-[(2-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)ammonio]valerate Formula: C18H19N3O2S MolecularWeight: 341.42736

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)[O-])[NH2+]C1=C2C(=CSC2=NC(=N1)C)C3=CC=CC=C3

Isomeric SMILES

CCC[C@@H](C(=O)[O-])[NH2+]C1=C2C(=CSC2=NC(=N1)C)C3=CC=CC=C3

InChI

InChI=1S/C18H19N3O2S/c1-3-7-14(18(22)23)21-16-15-13(12-8-5-4-6-9-12)10-24-17(15)20-11(2)19-16/h4-6,8-10,14H,3,7H2,1-2H3,(H,22,23)(H,19,20,21)/t14-/m0/s1