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

Systemtic Name: N4-(3-methylphenyl)-5-nitro-N6-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine Openeye Name: N4-(m-tolyl)-5-nitro-N6-(tetrahydrofuran-2-ylmethyl)pyrimidine-4,6-diamine CAS Name: N4-(3-methylphenyl)-5-nitro-N6-(2-oxolanylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(3-methylphenyl)-5-nitro-6-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine Traditional Name: [6-(m-toluidino)-5-nitro-pyrimidin-4-yl]-(tetrahydrofurfuryl)amine Formula: C16H19N5O3 MolecularWeight: 329.35376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=C(C(=NC=N2)NCC3CCCO3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)NC2=C(C(=NC=N2)NCC3CCCO3)[N+](=O)[O-]

InChI

InChI=1S/C16H19N5O3/c1-11-4-2-5-12(8-11)20-16-14(21(22)23)15(18-10-19-16)17-9-13-6-3-7-24-13/h2,4-5,8,10,13H,3,6-7,9H2,1H3,(H2,17,18,19,20)