methyl 2-[[[5-cyano-2-(3,4-dihydro-1,2-benzodioxin-7-ylamino)pyrimidin-4-yl]amino]methyl]benzoate

Systemtic Name: methyl 2-[[[5-cyano-2-(3,4-dihydro-1,2-benzodioxin-7-ylamino)pyrimidin-4-yl]amino]methyl]benzoate Openeye Name: methyl 2-[[[5-cyano-2-(3,4-dihydro-1,2-benzodioxin-7-ylamino)pyrimidin-4-yl]amino]methyl]benzoate CAS Name: 2-[[[5-cyano-2-(3,4-dihydro-1,2-benzodioxin-7-ylamino)-4-pyrimidinyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[[5-cyano-2-(3,4-dihydro-1,2-benzodioxin-7-ylamino)pyrimidin-4-yl]amino]methyl]benzoate Traditional Name: 2-[[[5-cyano-2-(3,4-dihydro-1,2-benzodioxin-7-ylamino)pyrimidin-4-yl]amino]methyl]benzoic acid methyl ester Formula: C22H19N5O4 MolecularWeight: 417.41736

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1CNC2=NC(=NC=C2C#N)NC3=CC4=C(CCOO4)C=C3

Isomeric SMILES

COC(=O)C1=CC=CC=C1CNC2=NC(=NC=C2C#N)NC3=CC4=C(CCOO4)C=C3

InChI

InChI=1S/C22H19N5O4/c1-29-21(28)18-5-3-2-4-15(18)12-24-20-16(11-23)13-25-22(27-20)26-17-7-6-14-8-9-30-31-19(14)10-17/h2-7,10,13H,8-9,12H2,1H3,(H2,24,25,26,27)