N4-[3-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,4-diamine

Systemtic Name: N4-[3-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,4-diamine Openeye Name: N4-[3-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,4-diamine CAS Name: N4-[3-(3,4-dimethoxyphenyl)-5-pyrazolo[1,5-a]pyrimidinyl]cyclohexane-1,4-diamine IUPAC Name: 4-N-[3-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,4-diamine Traditional Name: (4-aminocyclohexyl)-[3-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amine Formula: C20H25N5O2 MolecularWeight: 367.4448

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C3N=C(C=CN3N=C2)NC4CCC(CC4)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C3N=C(C=CN3N=C2)NC4CCC(CC4)N)OC

InChI

InChI=1S/C20H25N5O2/c1-26-17-8-3-13(11-18(17)27-2)16-12-22-25-10-9-19(24-20(16)25)23-15-6-4-14(21)5-7-15/h3,8-12,14-15H,4-7,21H2,1-2H3,(H,23,24)