2-methylpropyl 4-[[5-azanyl-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]benzoate

Systemtic Name: 2-methylpropyl 4-[[5-azanyl-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]benzoate Openeye Name: isobutyl 4-[[5-amino-6-(3-pyridylmethylamino)pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[5-amino-6-(3-pyridinylmethylamino)-4-pyrimidinyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[[5-amino-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[5-amino-6-(3-pyridylmethylamino)pyrimidin-4-yl]amino]benzoic acid isobutyl ester Formula: C21H24N6O2 MolecularWeight: 392.45426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NCC3=CN=CC=C3)N

Isomeric SMILES

CC(C)COC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NCC3=CN=CC=C3)N

InChI

InChI=1S/C21H24N6O2/c1-14(2)12-29-21(28)16-5-7-17(8-6-16)27-20-18(22)19(25-13-26-20)24-11-15-4-3-9-23-10-15/h3-10,13-14H,11-12,22H2,1-2H3,(H2,24,25,26,27)