N4-(4-butylphenyl)-N6-[(2-chlorophenyl)methyl]pyrimidine-4,5,6-triamine

Systemtic Name: N4-(4-butylphenyl)-N6-[(2-chlorophenyl)methyl]pyrimidine-4,5,6-triamine Openeye Name: N4-(4-butylphenyl)-N6-[(2-chlorophenyl)methyl]pyrimidine-4,5,6-triamine CAS Name: N4-(4-butylphenyl)-N6-[(2-chlorophenyl)methyl]pyrimidine-4,5,6-triamine IUPAC Name: 4-N-(4-butylphenyl)-6-N-[(2-chlorophenyl)methyl]pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(4-butylanilino)pyrimidin-4-yl]-(2-chlorobenzyl)amine Formula: C21H24ClN5 MolecularWeight: 381.90176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NCC3=CC=CC=C3Cl)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NCC3=CC=CC=C3Cl)N

InChI

InChI=1S/C21H24ClN5/c1-2-3-6-15-9-11-17(12-10-15)27-21-19(23)20(25-14-26-21)24-13-16-7-4-5-8-18(16)22/h4-5,7-12,14H,2-3,6,13,23H2,1H3,(H2,24,25,26,27)