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

Systemtic Name: N-[2-[4-oxidanylidene-5-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-propyl-pentanamide Openeye Name: N-[2-(5-benzyl-4-oxo-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-propyl-pentanamide CAS Name: N-[2-[4-oxo-5-(phenylmethyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-2-propylpentanamide IUPAC Name: N-[2-(5-benzyl-4-oxopyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-propylpentanamide Traditional Name: N-[2-(5-benzyl-4-keto-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-propyl-valeramide Formula: C22H29N5O2 MolecularWeight: 395.49796

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)C(=O)NCCN1C2=C(C=N1)C(=O)N(C=N2)CC3=CC=CC=C3

Isomeric SMILES

CCCC(CCC)C(=O)NCCN1C2=C(C=N1)C(=O)N(C=N2)CC3=CC=CC=C3

InChI

InChI=1S/C22H29N5O2/c1-3-8-18(9-4-2)21(28)23-12-13-27-20-19(14-25-27)22(29)26(16-24-20)15-17-10-6-5-7-11-17/h5-7,10-11,14,16,18H,3-4,8-9,12-13,15H2,1-2H3,(H,23,28)