2-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[4-(4-phenylmethoxyphenoxy)butyl]ethanamide

Systemtic Name: 2-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[4-(4-phenylmethoxyphenoxy)butyl]ethanamide Openeye Name: N-[4-(4-benzyloxyphenoxy)butyl]-2-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)acetamide CAS Name: 2-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-N-[4-(4-phenylmethoxyphenoxy)butyl]acetamide IUPAC Name: 2-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)-N-[4-(4-phenylmethoxyphenoxy)butyl]acetamide Traditional Name: N-[4-(4-benzoxyphenoxy)butyl]-2-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)acetamide Formula: C25H27N5O4 MolecularWeight: 461.51298

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CC(=O)NCCCCOC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CC(=O)NCCCCOC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C25H27N5O4/c1-29-24-22(15-28-29)25(32)30(18-27-24)16-23(31)26-13-5-6-14-33-20-9-11-21(12-10-20)34-17-19-7-3-2-4-8-19/h2-4,7-12,15,18H,5-6,13-14,16-17H2,1H3,(H,26,31)