methyl 2-[[5-azanyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]-methyl-amino]benzoate

Systemtic Name: methyl 2-[[5-azanyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]-methyl-amino]benzoate Openeye Name: methyl 2-[[5-amino-6-[(5-methylisoxazol-3-yl)amino]pyrimidin-4-yl]-methyl-amino]benzoate CAS Name: 2-[[5-amino-6-[(5-methyl-3-isoxazolyl)amino]-4-pyrimidinyl]-methylamino]benzoic acid methyl ester IUPAC Name: methyl 2-[[5-amino-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]-methylamino]benzoate Traditional Name: 2-[[5-amino-6-[(5-methylisoxazol-3-yl)amino]pyrimidin-4-yl]-methyl-amino]benzoic acid methyl ester Formula: C17H18N6O3 MolecularWeight: 354.36322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC2=C(C(=NC=N2)N(C)C3=CC=CC=C3C(=O)OC)N

Isomeric SMILES

CC1=CC(=NO1)NC2=C(C(=NC=N2)N(C)C3=CC=CC=C3C(=O)OC)N

InChI

InChI=1S/C17H18N6O3/c1-10-8-13(22-26-10)21-15-14(18)16(20-9-19-15)23(2)12-7-5-4-6-11(12)17(24)25-3/h4-9H,18H2,1-3H3,(H,19,20,21,22)