6-(azidomethyl)-3-methyl-2,4-bis(oxidanylidene)-1-propan-2-yl-thieno[2,3-d]pyrimidine-5-carboxylic acid

Systemtic Name: 6-(azidomethyl)-3-methyl-2,4-bis(oxidanylidene)-1-propan-2-yl-thieno[2,3-d]pyrimidine-5-carboxylic acid Openeye Name: 6-(azidomethyl)-1-isopropyl-3-methyl-2,4-dioxo-thieno[2,3-d]pyrimidine-5-carboxylic acid CAS Name: 6-(azidomethyl)-3-methyl-2,4-dioxo-1-propan-2-yl-5-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 6-(azidomethyl)-3-methyl-2,4-dioxo-1-propan-2-ylthieno[2,3-d]pyrimidine-5-carboxylic acid Traditional Name: 6-(azidomethyl)-1-isopropyl-2,4-diketo-3-methyl-thieno[2,3-d]pyrimidine-5-carboxylic acid Formula: C12H13N5O4S MolecularWeight: 323.32772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C(=C(S2)CN=[N+]=[N-])C(=O)O)C(=O)N(C1=O)C

Isomeric SMILES

CC(C)N1C2=C(C(=C(S2)CN=[N+]=[N-])C(=O)O)C(=O)N(C1=O)C

InChI

InChI=1S/C12H13N5O4S/c1-5(2)17-10-8(9(18)16(3)12(17)21)7(11(19)20)6(22-10)4-14-15-13/h5H,4H2,1-3H3,(H,19,20)