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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=NC=NC(=C2N)NCCCN3C=CN=C3

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=NC=NC(=C2N)NCCCN3C=CN=C3

InChI

InChI=1S/C18H23N7/c1-24(12-15-6-3-2-4-7-15)18-16(19)17(22-13-23-18)21-8-5-10-25-11-9-20-14-25/h2-4,6-7,9,11,13-14H,5,8,10,12,19H2,1H3,(H,21,22,23)