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

Systemtic Name: N4-(4-butylphenyl)-N6-phenethyl-pyrimidine-4,5,6-triamine Openeye Name: N4-(4-butylphenyl)-N6-phenethyl-pyrimidine-4,5,6-triamine CAS Name: N4-(4-butylphenyl)-N6-phenethylpyrimidine-4,5,6-triamine IUPAC Name: 4-N-(4-butylphenyl)-6-N-phenethylpyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(4-butylanilino)pyrimidin-4-yl]-phenethyl-amine Formula: C22H27N5 MolecularWeight: 361.48328

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NCCC3=CC=CC=C3)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NCCC3=CC=CC=C3)N

InChI

InChI=1S/C22H27N5/c1-2-3-7-18-10-12-19(13-11-18)27-22-20(23)21(25-16-26-22)24-15-14-17-8-5-4-6-9-17/h4-6,8-13,16H,2-3,7,14-15,23H2,1H3,(H2,24,25,26,27)