ethyl 4-[7-(2-azanyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-6-yl)heptyl]benzoate

Systemtic Name: ethyl 4-[7-(2-azanyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-6-yl)heptyl]benzoate Openeye Name: ethyl 4-[7-(2-amino-4-oxo-3H-thieno[2,3-d]pyrimidin-6-yl)heptyl]benzoate CAS Name: 4-[7-(2-amino-4-oxo-3H-thieno[2,3-d]pyrimidin-6-yl)heptyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[7-(2-amino-4-oxo-3H-thieno[2,3-d]pyrimidin-6-yl)heptyl]benzoate Traditional Name: 4-[7-(2-amino-4-keto-3H-thieno[2,3-d]pyrimidin-6-yl)heptyl]benzoic acid ethyl ester Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CCCCCCCC2=CC3=C(S2)N=C(NC3=O)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CCCCCCCC2=CC3=C(S2)N=C(NC3=O)N

InChI

InChI=1S/C22H27N3O3S/c1-2-28-21(27)16-12-10-15(11-13-16)8-6-4-3-5-7-9-17-14-18-19(26)24-22(23)25-20(18)29-17/h10-14H,2-9H2,1H3,(H3,23,24,25,26)