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

Systemtic Name: methyl 2-[[5-azanyl-6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 2-[[5-amino-6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]amino]benzoate CAS Name: 2-[[5-amino-6-(1,3-benzodioxol-5-ylamino)-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[5-amino-6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]amino]benzoate Traditional Name: 2-[[5-amino-6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C19H17N5O4 MolecularWeight: 379.36938

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC2=NC=NC(=C2N)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC2=NC=NC(=C2N)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H17N5O4/c1-26-19(25)12-4-2-3-5-13(12)24-18-16(20)17(21-9-22-18)23-11-6-7-14-15(8-11)28-10-27-14/h2-9H,10,20H2,1H3,(H2,21,22,23,24)