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

Systemtic Name: ethyl 4-(2-methylsulfanyl-4-oxidanylidene-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-3-yl)butanoate Openeye Name: ethyl 4-(2-methylsulfanyl-4-oxo-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-3-yl)butanoate CAS Name: 4-[2-(methylthio)-4-oxo-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-3-yl]butanoic acid ethyl ester IUPAC Name: ethyl 4-(2-methylsulfanyl-4-oxo-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-3-yl)butanoate Traditional Name: 4-[4-keto-2-(methylthio)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-3-yl]butyric acid ethyl ester Formula: C19H21N3O3S MolecularWeight: 371.45334

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN1C(=O)C2=C(NC=C2C3=CC=CC=C3)N=C1SC

Isomeric SMILES

CCOC(=O)CCCN1C(=O)C2=C(NC=C2C3=CC=CC=C3)N=C1SC

InChI

InChI=1S/C19H21N3O3S/c1-3-25-15(23)10-7-11-22-18(24)16-14(13-8-5-4-6-9-13)12-20-17(16)21-19(22)26-2/h4-6,8-9,12,20H,3,7,10-11H2,1-2H3