2-methylpropyl 4-[[5-azanyl-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]amino]benzoate

Systemtic Name: 2-methylpropyl 4-[[5-azanyl-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]amino]benzoate Openeye Name: isobutyl 4-[[5-amino-6-(tetrahydrofuran-2-ylmethylamino)pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[5-amino-6-(2-oxolanylmethylamino)-4-pyrimidinyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[[5-amino-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[5-amino-6-(tetrahydrofurfurylamino)pyrimidin-4-yl]amino]benzoic acid isobutyl ester Formula: C20H27N5O3 MolecularWeight: 385.46008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NCC3CCCO3)N

Isomeric SMILES

CC(C)COC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NCC3CCCO3)N

InChI

InChI=1S/C20H27N5O3/c1-13(2)11-28-20(26)14-5-7-15(8-6-14)25-19-17(21)18(23-12-24-19)22-10-16-4-3-9-27-16/h5-8,12-13,16H,3-4,9-11,21H2,1-2H3,(H2,22,23,24,25)