5-(4-methoxyphenyl)-N-[4-(piperazin-1-ylmethyl)phenyl]pyrimidin-2-amine

Systemtic Name: 5-(4-methoxyphenyl)-N-[4-(piperazin-1-ylmethyl)phenyl]pyrimidin-2-amine Openeye Name: 5-(4-methoxyphenyl)-N-[4-(piperazin-1-ylmethyl)phenyl]pyrimidin-2-amine CAS Name: 5-(4-methoxyphenyl)-N-[4-(1-piperazinylmethyl)phenyl]-2-pyrimidinamine IUPAC Name: 5-(4-methoxyphenyl)-N-[4-(piperazin-1-ylmethyl)phenyl]pyrimidin-2-amine Traditional Name: [5-(4-methoxyphenyl)pyrimidin-2-yl]-[4-(piperazinomethyl)phenyl]amine Formula: C22H25N5O MolecularWeight: 375.4668

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CN=C(N=C2)NC3=CC=C(C=C3)CN4CCNCC4

Isomeric SMILES

COC1=CC=C(C=C1)C2=CN=C(N=C2)NC3=CC=C(C=C3)CN4CCNCC4

InChI

InChI=1S/C22H25N5O/c1-28-21-8-4-18(5-9-21)19-14-24-22(25-15-19)26-20-6-2-17(3-7-20)16-27-12-10-23-11-13-27/h2-9,14-15,23H,10-13,16H2,1H3,(H,24,25,26)