4-azanyl-2-[2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 4-azanyl-2-[2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 4-amino-2-[2-[(5-ethoxycarbonyl-4-methyl-thiazol-2-yl)amino]-2-oxo-ethyl]sulfanyl-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-amino-2-[[2-[(5-ethoxycarbonyl-4-methyl-2-thiazolyl)amino]-2-oxoethyl]thio]-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 4-amino-2-[2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-amino-2-[[2-[(5-carbethoxy-4-methyl-thiazol-2-yl)amino]-2-keto-ethyl]thio]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C17H16N5O5S3- MolecularWeight: 466.53444

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC(=O)CSC2=NC(=C3C(=C(SC3=N2)C(=O)[O-])C)N)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC(=O)CSC2=NC(=C3C(=C(SC3=N2)C(=O)[O-])C)N)C

InChI

InChI=1S/C17H17N5O5S3/c1-4-27-15(26)11-7(3)19-17(30-11)20-8(23)5-28-16-21-12(18)9-6(2)10(14(24)25)29-13(9)22-16/h4-5H2,1-3H3,(H,24,25)(H2,18,21,22)(H,19,20,23)/p-1