(2R)-2-[(5-methyl-6-propan-2-yloxycarbonyl-thieno[2,3-d]pyrimidin-4-yl)azaniumyl]butanedioate

Systemtic Name: (2R)-2-[(5-methyl-6-propan-2-yloxycarbonyl-thieno[2,3-d]pyrimidin-4-yl)azaniumyl]butanedioate Openeye Name: (2R)-2-[(6-isopropoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)ammonio]butanedioate CAS Name: (2R)-2-[[5-methyl-6-[oxo(propan-2-yloxy)methyl]-4-thieno[2,3-d]pyrimidinyl]ammonio]butanedioate IUPAC Name: (2R)-2-[(5-methyl-6-propan-2-yloxycarbonylthieno[2,3-d]pyrimidin-4-yl)azaniumyl]butanedioate Traditional Name: (2R)-2-[(6-isopropoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)ammonio]succinate Formula: C15H16N3O6S- MolecularWeight: 366.36904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O6S/c1-6(2)24-15(23)11-7(3)10-12(16-5-17-13(10)25-11)18-8(14(21)22)4-9(19)20/h5-6,8H,4H2,1-3H3,(H,19,20)(H,21,22)(H,16,17,18)/p-1/t8-/m1/s1