N6-(4-butylphenyl)-N4-(4-chlorophenyl)pyrimidine-4,5,6-triamine

Systemtic Name: N6-(4-butylphenyl)-N4-(4-chlorophenyl)pyrimidine-4,5,6-triamine Openeye Name: N6-(4-butylphenyl)-N4-(4-chlorophenyl)pyrimidine-4,5,6-triamine CAS Name: N6-(4-butylphenyl)-N4-(4-chlorophenyl)pyrimidine-4,5,6-triamine IUPAC Name: 6-N-(4-butylphenyl)-4-N-(4-chlorophenyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(4-butylanilino)pyrimidin-4-yl]-(4-chlorophenyl)amine Formula: C20H22ClN5 MolecularWeight: 367.87518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=C(C=C3)Cl)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=C(C=C3)Cl)N

InChI

InChI=1S/C20H22ClN5/c1-2-3-4-14-5-9-16(10-6-14)25-19-18(22)20(24-13-23-19)26-17-11-7-15(21)8-12-17/h5-13H,2-4,22H2,1H3,(H2,23,24,25,26)