methyl 3-[[4-(cyclobutylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzoate

Systemtic Name: methyl 3-[[4-(cyclobutylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzoate Openeye Name: methyl 3-[[4-(cyclobutylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzoate CAS Name: 3-[[4-(cyclobutylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-(cyclobutylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzoate Traditional Name: 3-[[4-(cyclobutylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzoic acid methyl ester Formula: C18H19N5O2 MolecularWeight: 337.37576

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC2=NC3=C(C=CN3)C(=N2)NC4CCC4

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC2=NC3=C(C=CN3)C(=N2)NC4CCC4

InChI

InChI=1S/C18H19N5O2/c1-25-17(24)11-4-2-7-13(10-11)21-18-22-15-14(8-9-19-15)16(23-18)20-12-5-3-6-12/h2,4,7-10,12H,3,5-6H2,1H3,(H3,19,20,21,22,23)