N4-(2-methylphenyl)-N6-(oxolan-2-ylmethyl)pyrimidine-4,5,6-triamine

Systemtic Name: N4-(2-methylphenyl)-N6-(oxolan-2-ylmethyl)pyrimidine-4,5,6-triamine Openeye Name: N4-(o-tolyl)-N6-(tetrahydrofuran-2-ylmethyl)pyrimidine-4,5,6-triamine CAS Name: N4-(2-methylphenyl)-N6-(2-oxolanylmethyl)pyrimidine-4,5,6-triamine IUPAC Name: 4-N-(2-methylphenyl)-6-N-(oxolan-2-ylmethyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(o-toluidino)pyrimidin-4-yl]-(tetrahydrofurfuryl)amine Formula: C16H21N5O MolecularWeight: 299.37084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=C(C(=NC=N2)NCC3CCCO3)N

Isomeric SMILES

CC1=CC=CC=C1NC2=C(C(=NC=N2)NCC3CCCO3)N

InChI

InChI=1S/C16H21N5O/c1-11-5-2-3-7-13(11)21-16-14(17)15(19-10-20-16)18-9-12-6-4-8-22-12/h2-3,5,7,10,12H,4,6,8-9,17H2,1H3,(H2,18,19,20,21)