tert-butyl 2-(3-azanyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoate

Systemtic Name: tert-butyl 2-(3-azanyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoate Openeye Name: tert-butyl 2-(3-amino-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(3-amino-4-oxo-5-phenyl-2-thieno[2,3-d]pyrimidinyl)thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(3-amino-4-oxo-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(3-amino-4-keto-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetic acid tert-butyl ester Formula: C18H19N3O3S2 MolecularWeight: 389.49176

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CSC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1N

Isomeric SMILES

CC(C)(C)OC(=O)CSC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1N

InChI

InChI=1S/C18H19N3O3S2/c1-18(2,3)24-13(22)10-26-17-20-15-14(16(23)21(17)19)12(9-25-15)11-7-5-4-6-8-11/h4-9H,10,19H2,1-3H3