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

Systemtic Name: ethyl 4-[6-(2-azanyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-6-yl)hexyl]benzoate Openeye Name: ethyl 4-[6-(2-amino-4-oxo-3H-thieno[2,3-d]pyrimidin-6-yl)hexyl]benzoate CAS Name: 4-[6-(2-amino-4-oxo-3H-thieno[2,3-d]pyrimidin-6-yl)hexyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[6-(2-amino-4-oxo-3H-thieno[2,3-d]pyrimidin-6-yl)hexyl]benzoate Traditional Name: 4-[6-(2-amino-4-keto-3H-thieno[2,3-d]pyrimidin-6-yl)hexyl]benzoic acid ethyl ester Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CCCCCCC2=CC3=C(S2)N=C(NC3=O)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CCCCCCC2=CC3=C(S2)N=C(NC3=O)N

InChI

InChI=1S/C21H25N3O3S/c1-2-27-20(26)15-11-9-14(10-12-15)7-5-3-4-6-8-16-13-17-18(25)23-21(22)24-19(17)28-16/h9-13H,2-8H2,1H3,(H3,22,23,24,25)