ethyl 4-[8-(2-azanyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-6-yl)octyl]benzoate

Systemtic Name: ethyl 4-[8-(2-azanyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-6-yl)octyl]benzoate Openeye Name: ethyl 4-[8-(2-amino-4-oxo-3H-thieno[2,3-d]pyrimidin-6-yl)octyl]benzoate CAS Name: 4-[8-(2-amino-4-oxo-3H-thieno[2,3-d]pyrimidin-6-yl)octyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[8-(2-amino-4-oxo-3H-thieno[2,3-d]pyrimidin-6-yl)octyl]benzoate Traditional Name: 4-[8-(2-amino-4-keto-3H-thieno[2,3-d]pyrimidin-6-yl)octyl]benzoic acid ethyl ester Formula: C23H29N3O3S MolecularWeight: 427.55966

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CCCCCCCCC2=CC3=C(S2)N=C(NC3=O)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CCCCCCCCC2=CC3=C(S2)N=C(NC3=O)N

InChI

InChI=1S/C23H29N3O3S/c1-2-29-22(28)17-13-11-16(12-14-17)9-7-5-3-4-6-8-10-18-15-19-20(27)25-23(24)26-21(19)30-18/h11-15H,2-10H2,1H3,(H3,24,25,26,27)