methyl 2-[[5-azanyl-6-(tert-butylamino)pyrimidin-4-yl]amino]benzoate

Systemtic Name: methyl 2-[[5-azanyl-6-(tert-butylamino)pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 2-[[5-amino-6-(tert-butylamino)pyrimidin-4-yl]amino]benzoate CAS Name: 2-[[5-amino-6-(tert-butylamino)-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[5-amino-6-(tert-butylamino)pyrimidin-4-yl]amino]benzoate Traditional Name: 2-[[5-amino-6-(tert-butylamino)pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C16H21N5O2 MolecularWeight: 315.37024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=NC=NC(=C1N)NC2=CC=CC=C2C(=O)OC

Isomeric SMILES

CC(C)(C)NC1=NC=NC(=C1N)NC2=CC=CC=C2C(=O)OC

InChI

InChI=1S/C16H21N5O2/c1-16(2,3)21-14-12(17)13(18-9-19-14)20-11-8-6-5-7-10(11)15(22)23-4/h5-9H,17H2,1-4H3,(H2,18,19,20,21)