ethyl 5-azanyl-4-[(3-fluorophenyl)amino]-7-methyl-2-methylsulfanyl-pyrrolo[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-azanyl-4-[(3-fluorophenyl)amino]-7-methyl-2-methylsulfanyl-pyrrolo[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-amino-4-(3-fluoroanilino)-7-methyl-2-methylsulfanyl-pyrrolo[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-amino-4-(3-fluoroanilino)-7-methyl-2-(methylthio)-6-pyrrolo[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-(3-fluoroanilino)-7-methyl-2-methylsulfanylpyrrolo[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-amino-4-(3-fluoroanilino)-7-methyl-2-(methylthio)pyrrolo[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C17H18FN5O2S MolecularWeight: 375.420523

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1C)N=C(N=C2NC3=CC(=CC=C3)F)SC)N

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1C)N=C(N=C2NC3=CC(=CC=C3)F)SC)N

InChI

InChI=1S/C17H18FN5O2S/c1-4-25-16(24)13-12(19)11-14(20-10-7-5-6-9(18)8-10)21-17(26-3)22-15(11)23(13)2/h5-8H,4,19H2,1-3H3,(H,20,21,22)