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

Systemtic Name: methyl 5-azanyl-4-[(2-chlorophenyl)amino]-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 5-amino-4-(2-chloroanilino)-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-amino-4-(2-chloroanilino)-2-(methylthio)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 5-amino-4-(2-chloroanilino)-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-amino-4-(2-chloroanilino)-2-(methylthio)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C15H14ClN5O2S MolecularWeight: 363.82196

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(N1)N=C(N=C2NC3=CC=CC=C3Cl)SC)N

Isomeric SMILES

COC(=O)C1=C(C2=C(N1)N=C(N=C2NC3=CC=CC=C3Cl)SC)N

InChI

InChI=1S/C15H14ClN5O2S/c1-23-14(22)11-10(17)9-12(18-8-6-4-3-5-7(8)16)20-15(24-2)21-13(9)19-11/h3-6H,17H2,1-2H3,(H2,18,19,20,21)