1-cyclohexyl-3-(4-ethoxy-3-methoxy-phenyl)pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: 1-cyclohexyl-3-(4-ethoxy-3-methoxy-phenyl)pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 1-cyclohexyl-3-(4-ethoxy-3-methoxy-phenyl)pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 1-cyclohexyl-3-(4-ethoxy-3-methoxyphenyl)-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 1-cyclohexyl-3-(4-ethoxy-3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [1-cyclohexyl-3-(4-ethoxy-3-methoxy-phenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C20H25N5O2 MolecularWeight: 367.4448

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NN(C3=C2C(=NC=N3)N)C4CCCCC4)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NN(C3=C2C(=NC=N3)N)C4CCCCC4)OC

InChI

InChI=1S/C20H25N5O2/c1-3-27-15-10-9-13(11-16(15)26-2)18-17-19(21)22-12-23-20(17)25(24-18)14-7-5-4-6-8-14/h9-12,14H,3-8H2,1-2H3,(H2,21,22,23)