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

Systemtic Name: methyl 2-[[5-azanyl-6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]-methyl-amino]benzoate Openeye Name: methyl 2-[[5-amino-6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]-methyl-amino]benzoate CAS Name: 2-[[5-amino-6-(1,3-benzodioxol-5-ylamino)-4-pyrimidinyl]-methylamino]benzoic acid methyl ester IUPAC Name: methyl 2-[[5-amino-6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]-methylamino]benzoate Traditional Name: 2-[[5-amino-6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]-methyl-amino]benzoic acid methyl ester Formula: C20H19N5O4 MolecularWeight: 393.39596

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)OC)C2=NC=NC(=C2N)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)OC)C2=NC=NC(=C2N)NC3=CC4=C(C=C3)OCO4

InChI

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