N-[2-(cyclohexen-1-yl)ethyl]-3-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-3-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-3-(4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-3-(4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)propanamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-3-(4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)propanamide Traditional Name: N-[2-(cyclohexen-1-yl)ethyl]-3-(4-keto-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propionamide Formula: C22H25N5O2 MolecularWeight: 391.4662

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC(=O)CCN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4

Isomeric SMILES

C1CCC(=CC1)CCNC(=O)CCN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4

InChI

InChI=1S/C22H25N5O2/c28-20(23-13-11-17-7-3-1-4-8-17)12-14-26-16-24-21-19(22(26)29)15-25-27(21)18-9-5-2-6-10-18/h2,5-7,9-10,15-16H,1,3-4,8,11-14H2,(H,23,28)