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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=NOC(=C3)C)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=NOC(=C3)C)N

InChI

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