3-(2-azaniumylethyl)-5-methyl-2,4-bis(oxidanylidene)-1H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 3-(2-azaniumylethyl)-5-methyl-2,4-bis(oxidanylidene)-1H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 3-(2-azaniumylethyl)-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-(2-ammonioethyl)-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidine-6-carboxylate IUPAC Name: 3-(2-azaniumylethyl)-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-(2-ammonioethyl)-2,4-diketo-5-methyl-1H-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C10H11N3O4S MolecularWeight: 269.27704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=O)N2)CC[NH3+])C(=O)[O-]

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=O)N2)CC[NH3+])C(=O)[O-]

InChI

InChI=1S/C10H11N3O4S/c1-4-5-7(18-6(4)9(15)16)12-10(17)13(3-2-11)8(5)14/h2-3,11H2,1H3,(H,12,17)(H,15,16)