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

Systemtic Name: ethyl 4-[3-(2-azanyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-6-yl)propyl]benzoate Openeye Name: ethyl 4-[3-(2-amino-4-oxo-3H-thieno[2,3-d]pyrimidin-6-yl)propyl]benzoate CAS Name: 4-[3-(2-amino-4-oxo-3H-thieno[2,3-d]pyrimidin-6-yl)propyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(2-amino-4-oxo-3H-thieno[2,3-d]pyrimidin-6-yl)propyl]benzoate Traditional Name: 4-[3-(2-amino-4-keto-3H-thieno[2,3-d]pyrimidin-6-yl)propyl]benzoic acid ethyl ester Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CCCC2=CC3=C(S2)N=C(NC3=O)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CCCC2=CC3=C(S2)N=C(NC3=O)N

InChI

InChI=1S/C18H19N3O3S/c1-2-24-17(23)12-8-6-11(7-9-12)4-3-5-13-10-14-15(22)20-18(19)21-16(14)25-13/h6-10H,2-5H2,1H3,(H3,19,20,21,22)