methyl 3-[[6-azanyl-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]benzoate

Systemtic Name: methyl 3-[[6-azanyl-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]benzoate Openeye Name: methyl 3-[[6-amino-4-(2-furyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]benzoate CAS Name: 3-[[6-amino-4-(2-furanyl)-1-pyrazolo[3,4-d]pyrimidinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[6-amino-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]benzoate Traditional Name: 3-[[6-amino-4-(2-furyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]benzoic acid methyl ester Formula: C18H15N5O3 MolecularWeight: 349.3434

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CN2C3=NC(=NC(=C3C=N2)C4=CC=CO4)N

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CN2C3=NC(=NC(=C3C=N2)C4=CC=CO4)N

InChI

InChI=1S/C18H15N5O3/c1-25-17(24)12-5-2-4-11(8-12)10-23-16-13(9-20-23)15(21-18(19)22-16)14-6-3-7-26-14/h2-9H,10H2,1H3,(H2,19,21,22)