(2R)-2-[(2,6-dimethyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)azaniumyl]-3-oxidanyl-propanoate

Systemtic Name: (2R)-2-[(2,6-dimethyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)azaniumyl]-3-oxidanyl-propanoate Openeye Name: (2R)-2-[(2,6-dimethyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)ammonio]-3-hydroxy-propanoate CAS Name: (2R)-2-[(2,6-dimethyl-5-phenyl-4-thieno[2,3-d]pyrimidinyl)ammonio]-3-hydroxypropanoate IUPAC Name: (2R)-2-[(2,6-dimethyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)azaniumyl]-3-hydroxypropanoate Traditional Name: (2R)-2-[(2,6-dimethyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)ammonio]-3-hydroxy-propionate Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N=C(N=C2S1)C)[NH2+]C(CO)C(=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC1=C(C2=C(N=C(N=C2S1)C)[NH2+][C@H](CO)C(=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C17H17N3O3S/c1-9-13(11-6-4-3-5-7-11)14-15(20-12(8-21)17(22)23)18-10(2)19-16(14)24-9/h3-7,12,21H,8H2,1-2H3,(H,22,23)(H,18,19,20)/t12-/m1/s1