ethyl 3-[[5-azanyl-6-(tert-butylamino)pyrimidin-4-yl]amino]benzoate

Systemtic Name: ethyl 3-[[5-azanyl-6-(tert-butylamino)pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 3-[[5-amino-6-(tert-butylamino)pyrimidin-4-yl]amino]benzoate CAS Name: 3-[[5-amino-6-(tert-butylamino)-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[5-amino-6-(tert-butylamino)pyrimidin-4-yl]amino]benzoate Traditional Name: 3-[[5-amino-6-(tert-butylamino)pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C17H23N5O2 MolecularWeight: 329.39682

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC2=C(C(=NC=N2)NC(C)(C)C)N

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC2=C(C(=NC=N2)NC(C)(C)C)N

InChI

InChI=1S/C17H23N5O2/c1-5-24-16(23)11-7-6-8-12(9-11)21-14-13(18)15(20-10-19-14)22-17(2,3)4/h6-10H,5,18H2,1-4H3,(H2,19,20,21,22)