methyl 4-[2-(2-azanyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-5-yl)ethyl]benzoate

Systemtic Name: methyl 4-[2-(2-azanyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-5-yl)ethyl]benzoate Openeye Name: methyl 4-[2-(2-amino-4-oxo-3H-thieno[2,3-d]pyrimidin-5-yl)ethyl]benzoate CAS Name: 4-[2-(2-amino-4-oxo-3H-thieno[2,3-d]pyrimidin-5-yl)ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(2-amino-4-oxo-3H-thieno[2,3-d]pyrimidin-5-yl)ethyl]benzoate Traditional Name: 4-[2-(2-amino-4-keto-3H-thieno[2,3-d]pyrimidin-5-yl)ethyl]benzoic acid methyl ester Formula: C16H15N3O3S MolecularWeight: 329.3736

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CCC2=CSC3=C2C(=O)NC(=N3)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CCC2=CSC3=C2C(=O)NC(=N3)N

InChI

InChI=1S/C16H15N3O3S/c1-22-15(21)10-5-2-9(3-6-10)4-7-11-8-23-14-12(11)13(20)18-16(17)19-14/h2-3,5-6,8H,4,7H2,1H3,(H3,17,18,19,20)