N6-(4-butylphenyl)-N4,N4-bis(2-methylpropyl)pyrimidine-4,5,6-triamine

Systemtic Name: N6-(4-butylphenyl)-N4,N4-bis(2-methylpropyl)pyrimidine-4,5,6-triamine Openeye Name: N6-(4-butylphenyl)-N4,N4-diisobutyl-pyrimidine-4,5,6-triamine CAS Name: N6-(4-butylphenyl)-N4,N4-bis(2-methylpropyl)pyrimidine-4,5,6-triamine IUPAC Name: 6-N-(4-butylphenyl)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(4-butylanilino)pyrimidin-4-yl]-diisobutyl-amine Formula: C22H35N5 MolecularWeight: 369.5468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H35N5/c1-6-7-8-18-9-11-19(12-10-18)26-21-20(23)22(25-15-24-21)27(13-16(2)3)14-17(4)5/h9-12,15-17H,6-8,13-14,23H2,1-5H3,(H,24,25,26)