N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-2-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)ethanamide

Systemtic Name: N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-2-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)ethanamide Openeye Name: N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-2-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)acetamide CAS Name: N-[2-(4-methoxyphenyl)-2-(1-pyrrolidinyl)ethyl]-2-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)acetamide IUPAC Name: N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)acetamide Traditional Name: 2-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[2-(4-methoxyphenyl)-2-pyrrolidino-ethyl]acetamide Formula: C21H26N6O3 MolecularWeight: 410.46954

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CC(=O)NCC(C3=CC=C(C=C3)OC)N4CCCC4

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CC(=O)NCC(C3=CC=C(C=C3)OC)N4CCCC4

InChI

InChI=1S/C21H26N6O3/c1-25-20-17(11-24-25)21(29)27(14-23-20)13-19(28)22-12-18(26-9-3-4-10-26)15-5-7-16(30-2)8-6-15/h5-8,11,14,18H,3-4,9-10,12-13H2,1-2H3,(H,22,28)