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

Systemtic Name: N4-(4-ethylphenyl)-N6-(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine Openeye Name: N4-(4-ethylphenyl)-N6-(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine CAS Name: N4-(4-ethylphenyl)-N6-[3-(1-imidazolyl)propyl]pyrimidine-4,5,6-triamine IUPAC Name: 4-N-(4-ethylphenyl)-6-N-(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(4-ethylanilino)pyrimidin-4-yl]-(3-imidazol-1-ylpropyl)amine Formula: C18H23N7 MolecularWeight: 337.42212

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NCCCN3C=CN=C3)N

Isomeric SMILES

CCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NCCCN3C=CN=C3)N

InChI

InChI=1S/C18H23N7/c1-2-14-4-6-15(7-5-14)24-18-16(19)17(22-12-23-18)21-8-3-10-25-11-9-20-13-25/h4-7,9,11-13H,2-3,8,10,19H2,1H3,(H2,21,22,23,24)