2-[4-[(4-methoxyphenyl)carbonylamino]pyrazolo[3,4-d]pyrimidin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[(4-methoxyphenyl)carbonylamino]pyrazolo[3,4-d]pyrimidin-1-yl]ethanoic acid Openeye Name: 2-[4-[(4-methoxybenzoyl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]acetic acid CAS Name: 2-[4-[[(4-methoxyphenyl)-oxomethyl]amino]-1-pyrazolo[3,4-d]pyrimidinyl]acetic acid IUPAC Name: 2-[4-[(4-methoxybenzoyl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]acetic acid Traditional Name: 2-[4-(p-anisoylamino)pyrazolo[3,4-d]pyrimidin-1-yl]acetic acid Formula: C15H13N5O4 MolecularWeight: 327.29482

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC2=NC=NC3=C2C=NN3CC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC2=NC=NC3=C2C=NN3CC(=O)O

InChI

InChI=1S/C15H13N5O4/c1-24-10-4-2-9(3-5-10)15(23)19-13-11-6-18-20(7-12(21)22)14(11)17-8-16-13/h2-6,8H,7H2,1H3,(H,21,22)(H,16,17,19,23)