N-(3-chloranyl-2,6-diethyl-phenyl)-2-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)ethanamide

Systemtic Name: N-(3-chloranyl-2,6-diethyl-phenyl)-2-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)ethanamide Openeye Name: N-(3-chloro-2,6-diethyl-phenyl)-2-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)acetamide CAS Name: N-(3-chloro-2,6-diethylphenyl)-2-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)acetamide IUPAC Name: N-(3-chloro-2,6-diethylphenyl)-2-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)acetamide Traditional Name: N-(3-chloro-2,6-diethyl-phenyl)-2-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)acetamide Formula: C18H20ClN5O2 MolecularWeight: 373.8367

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C=C1)Cl)CC)NC(=O)CN2C=NC3=C(C2=O)C=NN3C

Isomeric SMILES

CCC1=C(C(=C(C=C1)Cl)CC)NC(=O)CN2C=NC3=C(C2=O)C=NN3C

InChI

InChI=1S/C18H20ClN5O2/c1-4-11-6-7-14(19)12(5-2)16(11)22-15(25)9-24-10-20-17-13(18(24)26)8-21-23(17)3/h6-8,10H,4-5,9H2,1-3H3,(H,22,25)