2-[4-azanylidene-5-(furan-2-ylcarbonylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl ethanoate

Systemtic Name: 2-[4-azanylidene-5-(furan-2-ylcarbonylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl ethanoate Openeye Name: 2-[5-(furan-2-carbonylamino)-4-imino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl acetate CAS Name: acetic acid 2-[5-[[2-furanyl(oxo)methyl]amino]-4-imino-1-pyrazolo[3,4-d]pyrimidinyl]ethyl ester IUPAC Name: 2-[5-(furan-2-carbonylamino)-4-iminopyrazolo[3,4-d]pyrimidin-1-yl]ethyl acetate Traditional Name: acetic acid 2-[5-(2-furoylamino)-4-imino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl ester Formula: C14H14N6O4 MolecularWeight: 330.29876

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCN1C2=C(C=N1)C(=N)N(C=N2)NC(=O)C3=CC=CO3

Isomeric SMILES

CC(=O)OCCN1C2=C(C=N1)C(=N)N(C=N2)NC(=O)C3=CC=CO3

InChI

InChI=1S/C14H14N6O4/c1-9(21)23-6-4-19-13-10(7-17-19)12(15)20(8-16-13)18-14(22)11-3-2-5-24-11/h2-3,5,7-8,15H,4,6H2,1H3,(H,18,22)