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

Systemtic Name: ethyl 4-[[5-azanyl-6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 4-[[5-amino-6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[5-amino-6-(1,3-benzodioxol-5-ylamino)-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[5-amino-6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[5-amino-6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C20H19N5O4 MolecularWeight: 393.39596

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC4=C(C=C3)OCO4)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC4=C(C=C3)OCO4)N

InChI

InChI=1S/C20H19N5O4/c1-2-27-20(26)12-3-5-13(6-4-12)24-18-17(21)19(23-10-22-18)25-14-7-8-15-16(9-14)29-11-28-15/h3-10H,2,11,21H2,1H3,(H2,22,23,24,25)