N-[2-[4-oxidanylidene-5-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]cyclohexanecarboxamide

Systemtic Name: N-[2-[4-oxidanylidene-5-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]cyclohexanecarboxamide Openeye Name: N-[2-(5-benzyl-4-oxo-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]cyclohexanecarboxamide CAS Name: N-[2-[4-oxo-5-(phenylmethyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]cyclohexanecarboxamide IUPAC Name: N-[2-(5-benzyl-4-oxopyrazolo[3,4-d]pyrimidin-1-yl)ethyl]cyclohexanecarboxamide Traditional Name: N-[2-(5-benzyl-4-keto-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]cyclohexanecarboxamide Formula: C21H25N5O2 MolecularWeight: 379.4555

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NCCN2C3=C(C=N2)C(=O)N(C=N3)CC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)C(=O)NCCN2C3=C(C=N2)C(=O)N(C=N3)CC4=CC=CC=C4

InChI

InChI=1S/C21H25N5O2/c27-20(17-9-5-2-6-10-17)22-11-12-26-19-18(13-24-26)21(28)25(15-23-19)14-16-7-3-1-4-8-16/h1,3-4,7-8,13,15,17H,2,5-6,9-12,14H2,(H,22,27)