N4-methyl-5-nitro-N6-(oxolan-2-ylmethyl)-N4-(phenylmethyl)pyrimidine-4,6-diamine

Systemtic Name: N4-methyl-5-nitro-N6-(oxolan-2-ylmethyl)-N4-(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N4-benzyl-N4-methyl-5-nitro-N6-(tetrahydrofuran-2-ylmethyl)pyrimidine-4,6-diamine CAS Name: N4-methyl-5-nitro-N6-(2-oxolanylmethyl)-N4-(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-4-N-methyl-5-nitro-6-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine Traditional Name: benzyl-methyl-[5-nitro-6-(tetrahydrofurfurylamino)pyrimidin-4-yl]amine Formula: C17H21N5O3 MolecularWeight: 343.38034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])NCC3CCCO3

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])NCC3CCCO3

InChI

InChI=1S/C17H21N5O3/c1-21(11-13-6-3-2-4-7-13)17-15(22(23)24)16(19-12-20-17)18-10-14-8-5-9-25-14/h2-4,6-7,12,14H,5,8-11H2,1H3,(H,18,19,20)