3-phenethyl-5-piperidin-4-yl-4H-pyrimidine-2,6-diamine

Systemtic Name: 3-phenethyl-5-piperidin-4-yl-4H-pyrimidine-2,6-diamine Openeye Name: 3-phenethyl-5-(4-piperidyl)-4H-pyrimidine-2,6-diamine CAS Name: 3-phenethyl-5-(4-piperidinyl)-4H-pyrimidine-2,6-diamine IUPAC Name: 3-phenethyl-5-piperidin-4-yl-4H-pyrimidine-2,6-diamine Traditional Name: [2-amino-3-phenethyl-5-(4-piperidyl)-4H-pyrimidin-6-yl]amine Formula: C17H25N5 MolecularWeight: 299.4139

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C2=C(N=C(N(C2)CCC3=CC=CC=C3)N)N

Isomeric SMILES

C1CNCCC1C2=C(N=C(N(C2)CCC3=CC=CC=C3)N)N

InChI

InChI=1S/C17H25N5/c18-16-15(14-6-9-20-10-7-14)12-22(17(19)21-16)11-8-13-4-2-1-3-5-13/h1-5,14,20H,6-12,18H2,(H2,19,21)