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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=C(C(=NC=N2)NCC3CCCO3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1NC2=C(C(=NC=N2)NCC3CCCO3)[N+](=O)[O-]

InChI

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