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

Systemtic Name: (2R)-2-[(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)azaniumyl]butanedioate Openeye Name: (2R)-2-[(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)ammonio]butanedioate CAS Name: (2R)-2-[(2-methyl-6-phenyl-4-thieno[2,3-d]pyrimidinyl)ammonio]butanedioate IUPAC Name: (2R)-2-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)azaniumyl]butanedioate Traditional Name: (2R)-2-[(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)ammonio]succinate Formula: C17H14N3O4S- MolecularWeight: 356.37576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O4S/c1-9-18-15(20-12(17(23)24)8-14(21)22)11-7-13(25-16(11)19-9)10-5-3-2-4-6-10/h2-7,12H,8H2,1H3,(H,21,22)(H,23,24)(H,18,19,20)/p-1/t12-/m1/s1