ethyl N-[1-(3-chlorophenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]carbamate

Systemtic Name: ethyl N-[1-(3-chlorophenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]carbamate Openeye Name: ethyl N-[1-(3-chlorophenyl)-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl]carbamate CAS Name: N-[1-(3-chlorophenyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[1-(3-chlorophenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]carbamate Traditional Name: N-[1-(3-chlorophenyl)-4-keto-pyrazolo[3,4-d]pyrimidin-5-yl]carbamic acid ethyl ester Formula: C14H12ClN5O3 MolecularWeight: 333.72978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NN1C=NC2=C(C1=O)C=NN2C3=CC(=CC=C3)Cl

Isomeric SMILES

CCOC(=O)NN1C=NC2=C(C1=O)C=NN2C3=CC(=CC=C3)Cl

InChI

InChI=1S/C14H12ClN5O3/c1-2-23-14(22)18-19-8-16-12-11(13(19)21)7-17-20(12)10-5-3-4-9(15)6-10/h3-8H,2H2,1H3,(H,18,22)