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

Systemtic Name: ethyl 5-azanyl-4-[(2-chlorophenyl)amino]-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C16H16ClN5O2S MolecularWeight: 377.84854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClN5O2S/c1-3-24-15(23)12-11(18)10-13(19-9-7-5-4-6-8(9)17)21-16(25-2)22-14(10)20-12/h4-7H,3,18H2,1-2H3,(H2,19,20,21,22)