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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C2=C(N1)N=C(N(C2=O)C3=CC=CC=C3)SCC(=O)OC)C(=O)N

Isomeric SMILES

CCSC1=C(C2=C(N1)N=C(N(C2=O)C3=CC=CC=C3)SCC(=O)OC)C(=O)N

InChI

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