N4-(4-butylphenyl)-N6-(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine

Systemtic Name: N4-(4-butylphenyl)-N6-(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine Openeye Name: N4-(4-butylphenyl)-N6-(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine CAS Name: N4-(4-butylphenyl)-N6-[3-(1-imidazolyl)propyl]pyrimidine-4,5,6-triamine IUPAC Name: 4-N-(4-butylphenyl)-6-N-(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(4-butylanilino)pyrimidin-4-yl]-(3-imidazol-1-ylpropyl)amine Formula: C20H27N7 MolecularWeight: 365.47528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NCCCN3C=CN=C3)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NCCCN3C=CN=C3)N

InChI

InChI=1S/C20H27N7/c1-2-3-5-16-6-8-17(9-7-16)26-20-18(21)19(24-14-25-20)23-10-4-12-27-13-11-22-15-27/h6-9,11,13-15H,2-5,10,12,21H2,1H3,(H2,23,24,25,26)