N4-(2-ethylphenyl)-N6-(3-methylbutyl)pyrimidine-4,5,6-triamine

Systemtic Name: N4-(2-ethylphenyl)-N6-(3-methylbutyl)pyrimidine-4,5,6-triamine Openeye Name: N4-(2-ethylphenyl)-N6-isopentyl-pyrimidine-4,5,6-triamine CAS Name: N4-(2-ethylphenyl)-N6-(3-methylbutyl)pyrimidine-4,5,6-triamine IUPAC Name: 4-N-(2-ethylphenyl)-6-N-(3-methylbutyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(2-ethylanilino)pyrimidin-4-yl]-isoamyl-amine Formula: C17H25N5 MolecularWeight: 299.4139

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=C(C(=NC=N2)NCCC(C)C)N

Isomeric SMILES

CCC1=CC=CC=C1NC2=C(C(=NC=N2)NCCC(C)C)N

InChI

InChI=1S/C17H25N5/c1-4-13-7-5-6-8-14(13)22-17-15(18)16(20-11-21-17)19-10-9-12(2)3/h5-8,11-12H,4,9-10,18H2,1-3H3,(H2,19,20,21,22)