ethyl 2-[(5-aminocarbonyl-6-methylsulfanyl-4-oxidanylidene-3-phenyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]ethanoate

Systemtic Name: ethyl 2-[(5-aminocarbonyl-6-methylsulfanyl-4-oxidanylidene-3-phenyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]ethanoate Openeye Name: ethyl 2-[(5-carbamoyl-6-methylsulfanyl-4-oxo-3-phenyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetate CAS Name: 2-[[5-carbamoyl-6-(methylthio)-4-oxo-3-phenyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(5-carbamoyl-6-methylsulfanyl-4-oxo-3-phenyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetate Traditional Name: 2-[[5-carbamoyl-4-keto-6-(methylthio)-3-phenyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]thio]acetic acid ethyl ester Formula: C18H18N4O4S2 MolecularWeight: 418.48992

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=C(C(=C(N2)SC)C(=O)N)C(=O)N1C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CSC1=NC2=C(C(=C(N2)SC)C(=O)N)C(=O)N1C3=CC=CC=C3

InChI

InChI=1S/C18H18N4O4S2/c1-3-26-11(23)9-28-18-21-15-13(12(14(19)24)16(20-15)27-2)17(25)22(18)10-7-5-4-6-8-10/h4-8,20H,3,9H2,1-2H3,(H2,19,24)