5-[4-[(4-chlorophenyl)methylamino]phenyl]-6-(3-phenylpropyl)pyrimidine-2,4-diamine

Systemtic Name: 5-[4-[(4-chlorophenyl)methylamino]phenyl]-6-(3-phenylpropyl)pyrimidine-2,4-diamine Openeye Name: 5-[4-[(4-chlorophenyl)methylamino]phenyl]-6-(3-phenylpropyl)pyrimidine-2,4-diamine CAS Name: 5-[4-[(4-chlorophenyl)methylamino]phenyl]-6-(3-phenylpropyl)pyrimidine-2,4-diamine IUPAC Name: 5-[4-[(4-chlorophenyl)methylamino]phenyl]-6-(3-phenylpropyl)pyrimidine-2,4-diamine Traditional Name: (4-chlorobenzyl)-[4-[2,4-diamino-6-(3-phenylpropyl)pyrimidin-5-yl]phenyl]amine Formula: C26H26ClN5 MolecularWeight: 443.97114

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC2=C(C(=NC(=N2)N)N)C3=CC=C(C=C3)NCC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCCC2=C(C(=NC(=N2)N)N)C3=CC=C(C=C3)NCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H26ClN5/c27-21-13-9-19(10-14-21)17-30-22-15-11-20(12-16-22)24-23(31-26(29)32-25(24)28)8-4-7-18-5-2-1-3-6-18/h1-3,5-6,9-16,30H,4,7-8,17H2,(H4,28,29,31,32)