N-(cyclohexylcarbamoyl)-2-[1-(2-nitrophenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]ethanamide

Systemtic Name: N-(cyclohexylcarbamoyl)-2-[1-(2-nitrophenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]ethanamide Openeye Name: N-(cyclohexylcarbamoyl)-2-[1-(2-nitrophenyl)-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl]acetamide CAS Name: N-[(cyclohexylamino)-oxomethyl]-2-[1-(2-nitrophenyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]acetamide IUPAC Name: N-(cyclohexylcarbamoyl)-2-[1-(2-nitrophenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetamide Traditional Name: N-(cyclohexylcarbamoyl)-2-[4-keto-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-5-yl]acetamide Formula: C20H21N7O5 MolecularWeight: 439.42464

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)NC(=O)CN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)NC(=O)NC(=O)CN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C20H21N7O5/c28-17(24-20(30)23-13-6-2-1-3-7-13)11-25-12-21-18-14(19(25)29)10-22-26(18)15-8-4-5-9-16(15)27(31)32/h4-5,8-10,12-13H,1-3,6-7,11H2,(H2,23,24,28,30)