5-(3,4-dichlorophenyl)-6-(4-phenylbutyl)pyrimidine-2,4-diamine

Systemtic Name: 5-(3,4-dichlorophenyl)-6-(4-phenylbutyl)pyrimidine-2,4-diamine Openeye Name: 5-(3,4-dichlorophenyl)-6-(4-phenylbutyl)pyrimidine-2,4-diamine CAS Name: 5-(3,4-dichlorophenyl)-6-(4-phenylbutyl)pyrimidine-2,4-diamine IUPAC Name: 5-(3,4-dichlorophenyl)-6-(4-phenylbutyl)pyrimidine-2,4-diamine Traditional Name: [2-amino-5-(3,4-dichlorophenyl)-6-(4-phenylbutyl)pyrimidin-4-yl]amine Formula: C20H20Cl2N4 MolecularWeight: 387.3056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCC2=C(C(=NC(=N2)N)N)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCCCC2=C(C(=NC(=N2)N)N)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C20H20Cl2N4/c21-15-11-10-14(12-16(15)22)18-17(25-20(24)26-19(18)23)9-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,10-12H,4-5,8-9H2,(H4,23,24,25,26)