ethyl 4-azanyl-5-methyl-2-[(5-nitro-2-oxidanylidene-pyridin-1-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 4-azanyl-5-methyl-2-[(5-nitro-2-oxidanylidene-pyridin-1-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-amino-5-methyl-2-[(5-nitro-2-oxo-1-pyridyl)methyl]thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-amino-5-methyl-2-[(5-nitro-2-oxo-1-pyridinyl)methyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-5-methyl-2-[(5-nitro-2-oxopyridin-1-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-amino-2-[(2-keto-5-nitro-1-pyridyl)methyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C16H15N5O5S MolecularWeight: 389.3858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CN3C=C(C=CC3=O)[N+](=O)[O-])N)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CN3C=C(C=CC3=O)[N+](=O)[O-])N)C

InChI

InChI=1S/C16H15N5O5S/c1-3-26-16(23)13-8(2)12-14(17)18-10(19-15(12)27-13)7-20-6-9(21(24)25)4-5-11(20)22/h4-6H,3,7H2,1-2H3,(H2,17,18,19)