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

Systemtic Name: (2R)-2-[(2,6-dimethyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)azaniumyl]butanedioate Openeye Name: (2R)-2-[(2,6-dimethyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)ammonio]butanedioate CAS Name: (2R)-2-[(2,6-dimethyl-5-phenyl-4-thieno[2,3-d]pyrimidinyl)ammonio]butanedioate IUPAC Name: (2R)-2-[(2,6-dimethyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)azaniumyl]butanedioate Traditional Name: (2R)-2-[(2,6-dimethyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)ammonio]succinate Formula: C18H16N3O4S- MolecularWeight: 370.40234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O4S/c1-9-14(11-6-4-3-5-7-11)15-16(19-10(2)20-17(15)26-9)21-12(18(24)25)8-13(22)23/h3-7,12H,8H2,1-2H3,(H,22,23)(H,24,25)(H,19,20,21)/p-1/t12-/m1/s1