5-[4-(3-piperidin-1-ylpropoxy)phenyl]pyrimidine-2,4-diamine

Systemtic Name: 5-[4-(3-piperidin-1-ylpropoxy)phenyl]pyrimidine-2,4-diamine Openeye Name: 5-[4-[3-(1-piperidyl)propoxy]phenyl]pyrimidine-2,4-diamine CAS Name: 5-[4-[3-(1-piperidinyl)propoxy]phenyl]pyrimidine-2,4-diamine IUPAC Name: 5-[4-(3-piperidin-1-ylpropoxy)phenyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[4-(3-piperidinopropoxy)phenyl]pyrimidin-4-yl]amine Formula: C18H25N5O MolecularWeight: 327.424

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCOC2=CC=C(C=C2)C3=CN=C(N=C3N)N

Isomeric SMILES

C1CCN(CC1)CCCOC2=CC=C(C=C2)C3=CN=C(N=C3N)N

InChI

InChI=1S/C18H25N5O/c19-17-16(13-21-18(20)22-17)14-5-7-15(8-6-14)24-12-4-11-23-9-2-1-3-10-23/h5-8,13H,1-4,9-12H2,(H4,19,20,21,22)