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

Systemtic Name: ethyl 5-azanyl-4-(methylamino)-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-amino-4-(methylamino)-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-amino-4-(methylamino)-2-(methylthio)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-(methylamino)-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-amino-4-(methylamino)-2-(methylthio)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C11H15N5O2S MolecularWeight: 281.3341

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)N=C(N=C2NC)SC)N

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)N=C(N=C2NC)SC)N

InChI

InChI=1S/C11H15N5O2S/c1-4-18-10(17)7-6(12)5-8(13-2)15-11(19-3)16-9(5)14-7/h4,12H2,1-3H3,(H2,13,14,15,16)