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

Systemtic Name: N6-cyclohexyl-2-phenyl-N4-(phenylmethyl)pyrimidine-4,5,6-triamine hydrochloride Openeye Name: N4-benzyl-N6-cyclohexyl-2-phenyl-pyrimidine-4,5,6-triamine hydrochloride CAS Name: N6-cyclohexyl-2-phenyl-N4-(phenylmethyl)pyrimidine-4,5,6-triamine hydrochloride IUPAC Name: 4-N-benzyl-6-N-cyclohexyl-2-phenylpyrimidine-4,5,6-triamine hydrochloride Traditional Name: [5-amino-6-(benzylamino)-2-phenyl-pyrimidin-4-yl]-cyclohexyl-amine hydrochloride Formula: C23H28ClN5 MolecularWeight: 409.95492

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=C(C(=NC(=N2)C3=CC=CC=C3)NCC4=CC=CC=C4)N.Cl

Isomeric SMILES

C1CCC(CC1)NC2=C(C(=NC(=N2)C3=CC=CC=C3)NCC4=CC=CC=C4)N.Cl

InChI

InChI=1S/C23H27N5.ClH/c24-20-22(25-16-17-10-4-1-5-11-17)27-21(18-12-6-2-7-13-18)28-23(20)26-19-14-8-3-9-15-19;/h1-2,4-7,10-13,19H,3,8-9,14-16,24H2,(H2,25,26,27,28);1H