methyl 4-[(2-azanyl-6-ethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-5-yl)sulfanyl]benzoate

Systemtic Name: methyl 4-[(2-azanyl-6-ethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-5-yl)sulfanyl]benzoate Openeye Name: methyl 4-[(2-amino-6-ethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-5-yl)sulfanyl]benzoate CAS Name: 4-[(2-amino-6-ethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-5-yl)thio]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-amino-6-ethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-5-yl)sulfanyl]benzoate Traditional Name: 4-[(2-amino-6-ethyl-4-keto-3H-thieno[2,3-d]pyrimidin-5-yl)thio]benzoic acid methyl ester Formula: C16H15N3O3S2 MolecularWeight: 361.4386

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(S1)N=C(NC2=O)N)SC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCC1=C(C2=C(S1)N=C(NC2=O)N)SC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C16H15N3O3S2/c1-3-10-12(11-13(20)18-16(17)19-14(11)24-10)23-9-6-4-8(5-7-9)15(21)22-2/h4-7H,3H2,1-2H3,(H3,17,18,19,20)