N4-ethyl-N4-(3-methylphenyl)-5-nitro-N6-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine

Systemtic Name: N4-ethyl-N4-(3-methylphenyl)-5-nitro-N6-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine Openeye Name: N4-ethyl-N4-(m-tolyl)-5-nitro-N6-(tetrahydrofuran-2-ylmethyl)pyrimidine-4,6-diamine CAS Name: N4-ethyl-N4-(3-methylphenyl)-5-nitro-N6-(2-oxolanylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-ethyl-4-N-(3-methylphenyl)-5-nitro-6-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine Traditional Name: ethyl-(m-tolyl)-[5-nitro-6-(tetrahydrofurfurylamino)pyrimidin-4-yl]amine Formula: C18H23N5O3 MolecularWeight: 357.40692

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC(=C1)C)C2=NC=NC(=C2[N+](=O)[O-])NCC3CCCO3

Isomeric SMILES

CCN(C1=CC=CC(=C1)C)C2=NC=NC(=C2[N+](=O)[O-])NCC3CCCO3

InChI

InChI=1S/C18H23N5O3/c1-3-22(14-7-4-6-13(2)10-14)18-16(23(24)25)17(20-12-21-18)19-11-15-8-5-9-26-15/h4,6-7,10,12,15H,3,5,8-9,11H2,1-2H3,(H,19,20,21)