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

Systemtic Name: N4-(4-butylphenyl)-N6-(phenylmethyl)pyrimidine-4,5,6-triamine Openeye Name: N6-benzyl-N4-(4-butylphenyl)pyrimidine-4,5,6-triamine CAS Name: N4-(4-butylphenyl)-N6-(phenylmethyl)pyrimidine-4,5,6-triamine IUPAC Name: 6-N-benzyl-4-N-(4-butylphenyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(benzylamino)pyrimidin-4-yl]-(4-butylphenyl)amine Formula: C21H25N5 MolecularWeight: 347.4567

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NCC3=CC=CC=C3)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NCC3=CC=CC=C3)N

InChI

InChI=1S/C21H25N5/c1-2-3-7-16-10-12-18(13-11-16)26-21-19(22)20(24-15-25-21)23-14-17-8-5-4-6-9-17/h4-6,8-13,15H,2-3,7,14,22H2,1H3,(H2,23,24,25,26)