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

Systemtic Name: methyl 5-azanyl-4-(methylamino)-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C10H13N5O2S MolecularWeight: 267.30752

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC2=C1C(=C(N2)C(=O)OC)N)SC

Isomeric SMILES

CNC1=NC(=NC2=C1C(=C(N2)C(=O)OC)N)SC

InChI

InChI=1S/C10H13N5O2S/c1-12-7-4-5(11)6(9(16)17-2)13-8(4)15-10(14-7)18-3/h11H2,1-3H3,(H2,12,13,14,15)