N6-pentyl-2-phenyl-N4-(phenylmethyl)pyrimidine-4,5,6-triamine hydrochloride

Systemtic Name: N6-pentyl-2-phenyl-N4-(phenylmethyl)pyrimidine-4,5,6-triamine hydrochloride Openeye Name: N4-benzyl-N6-pentyl-2-phenyl-pyrimidine-4,5,6-triamine hydrochloride CAS Name: N6-pentyl-2-phenyl-N4-(phenylmethyl)pyrimidine-4,5,6-triamine hydrochloride IUPAC Name: 4-N-benzyl-6-N-pentyl-2-phenylpyrimidine-4,5,6-triamine hydrochloride Traditional Name: [5-amino-6-(amylamino)-2-phenyl-pyrimidin-4-yl]-benzyl-amine hydrochloride Formula: C22H28ClN5 MolecularWeight: 397.94422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1=NC(=NC(=C1N)NCC2=CC=CC=C2)C3=CC=CC=C3.Cl

Isomeric SMILES

CCCCCNC1=NC(=NC(=C1N)NCC2=CC=CC=C2)C3=CC=CC=C3.Cl

InChI

InChI=1S/C22H27N5.ClH/c1-2-3-10-15-24-21-19(23)22(25-16-17-11-6-4-7-12-17)27-20(26-21)18-13-8-5-9-14-18;/h4-9,11-14H,2-3,10,15-16,23H2,1H3,(H2,24,25,26,27);1H