methyl 2-[4-[(4-methoxyphenyl)carbonylamino]-2H-pyrazolo[3,4-d]pyrimidin-3-yl]ethanoate

Systemtic Name: methyl 2-[4-[(4-methoxyphenyl)carbonylamino]-2H-pyrazolo[3,4-d]pyrimidin-3-yl]ethanoate Openeye Name: methyl 2-[4-[(4-methoxybenzoyl)amino]-2H-pyrazolo[3,4-d]pyrimidin-3-yl]acetate CAS Name: 2-[4-[[(4-methoxyphenyl)-oxomethyl]amino]-2H-pyrazolo[3,4-d]pyrimidin-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[(4-methoxybenzoyl)amino]-2H-pyrazolo[3,4-d]pyrimidin-3-yl]acetate Traditional Name: 2-[4-(p-anisoylamino)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]acetic acid methyl ester Formula: C16H15N5O4 MolecularWeight: 341.3214

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC2=NC=NC3=NNC(=C32)CC(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC2=NC=NC3=NNC(=C32)CC(=O)OC

InChI

InChI=1S/C16H15N5O4/c1-24-10-5-3-9(4-6-10)16(23)19-14-13-11(7-12(22)25-2)20-21-15(13)18-8-17-14/h3-6,8H,7H2,1-2H3,(H2,17,18,19,20,21,23)