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

Systemtic Name: methyl 5-azanyl-4-(butylamino)-7-methyl-2-methylsulfanyl-pyrrolo[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 5-amino-4-(butylamino)-7-methyl-2-methylsulfanyl-pyrrolo[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-amino-4-(butylamino)-7-methyl-2-(methylthio)-6-pyrrolo[2,3-d]pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 5-amino-4-(butylamino)-7-methyl-2-methylsulfanylpyrrolo[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-amino-4-(butylamino)-7-methyl-2-(methylthio)pyrrolo[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C14H21N5O2S MolecularWeight: 323.41384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC(=NC2=C1C(=C(N2C)C(=O)OC)N)SC

Isomeric SMILES

CCCCNC1=NC(=NC2=C1C(=C(N2C)C(=O)OC)N)SC

InChI

InChI=1S/C14H21N5O2S/c1-5-6-7-16-11-8-9(15)10(13(20)21-3)19(2)12(8)18-14(17-11)22-4/h5-7,15H2,1-4H3,(H,16,17,18)