(2S)-2-[(5-methyl-6-phenylmethoxycarbonyl-thieno[2,3-d]pyrimidin-4-yl)azaniumyl]propanoate

Systemtic Name: (2S)-2-[(5-methyl-6-phenylmethoxycarbonyl-thieno[2,3-d]pyrimidin-4-yl)azaniumyl]propanoate Openeye Name: (2S)-2-[(6-benzyloxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)ammonio]propanoate CAS Name: (2S)-2-[(5-methyl-6-phenylmethoxycarbonyl-4-thieno[2,3-d]pyrimidinyl)ammonio]propanoate IUPAC Name: (2S)-2-[(5-methyl-6-phenylmethoxycarbonylthieno[2,3-d]pyrimidin-4-yl)azaniumyl]propanoate Traditional Name: (2S)-2-[(6-carbobenzoxy-5-methyl-thieno[2,3-d]pyrimidin-4-yl)ammonio]propionate Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)[NH2+]C(C)C(=O)[O-])C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)[NH2+][C@@H](C)C(=O)[O-])C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C18H17N3O4S/c1-10-13-15(21-11(2)17(22)23)19-9-20-16(13)26-14(10)18(24)25-8-12-6-4-3-5-7-12/h3-7,9,11H,8H2,1-2H3,(H,22,23)(H,19,20,21)/t11-/m0/s1