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

Systemtic Name: ethyl 4-[(2-azanyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-6-yl)methyl]benzoate Openeye Name: ethyl 4-[(2-amino-4-oxo-3H-thieno[2,3-d]pyrimidin-6-yl)methyl]benzoate CAS Name: 4-[(2-amino-4-oxo-3H-thieno[2,3-d]pyrimidin-6-yl)methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2-amino-4-oxo-3H-thieno[2,3-d]pyrimidin-6-yl)methyl]benzoate Traditional Name: 4-[(2-amino-4-keto-3H-thieno[2,3-d]pyrimidin-6-yl)methyl]benzoic acid ethyl ester Formula: C16H15N3O3S MolecularWeight: 329.3736

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CC2=CC3=C(S2)N=C(NC3=O)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CC2=CC3=C(S2)N=C(NC3=O)N

InChI

InChI=1S/C16H15N3O3S/c1-2-22-15(21)10-5-3-9(4-6-10)7-11-8-12-13(20)18-16(17)19-14(12)23-11/h3-6,8H,2,7H2,1H3,(H3,17,18,19,20)