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

Systemtic Name: 2-methylpropyl 4-[[5-azanyl-6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]amino]benzoate Openeye Name: isobutyl 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 2-methylpropyl ester IUPAC Name: 2-methylpropyl 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 isobutyl ester Formula: C22H23N5O4 MolecularWeight: 421.44912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O4/c1-13(2)10-29-22(28)14-3-5-15(6-4-14)26-20-19(23)21(25-11-24-20)27-16-7-8-17-18(9-16)31-12-30-17/h3-9,11,13H,10,12,23H2,1-2H3,(H2,24,25,26,27)