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

Systemtic Name: (2R)-2-[(6-methoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)azaniumyl]-3-oxidanyl-propanoate Openeye Name: (2R)-3-hydroxy-2-[(6-methoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)ammonio]propanoate CAS Name: (2R)-3-hydroxy-2-[(6-methoxycarbonyl-5-methyl-4-thieno[2,3-d]pyrimidinyl)ammonio]propanoate IUPAC Name: (2R)-3-hydroxy-2-[(6-methoxycarbonyl-5-methylthieno[2,3-d]pyrimidin-4-yl)azaniumyl]propanoate Traditional Name: (2R)-2-[(6-carbomethoxy-5-methyl-thieno[2,3-d]pyrimidin-4-yl)ammonio]-3-hydroxy-propionate Formula: C12H13N3O5S MolecularWeight: 311.31372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O5S/c1-5-7-9(15-6(3-16)11(17)18)13-4-14-10(7)21-8(5)12(19)20-2/h4,6,16H,3H2,1-2H3,(H,17,18)(H,13,14,15)/t6-/m1/s1