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

Systemtic Name: N6-(furan-2-ylmethyl)-N4-(4-methylphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(2-furylmethyl)-5-nitro-N4-(p-tolyl)pyrimidine-4,6-diamine CAS Name: N6-(2-furanylmethyl)-N4-(4-methylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(furan-2-ylmethyl)-4-N-(4-methylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: 2-furfuryl-[5-nitro-6-(p-toluidino)pyrimidin-4-yl]amine Formula: C16H15N5O3 MolecularWeight: 325.322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=C(C(=NC=N2)NCC3=CC=CO3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC2=C(C(=NC=N2)NCC3=CC=CO3)[N+](=O)[O-]

InChI

InChI=1S/C16H15N5O3/c1-11-4-6-12(7-5-11)20-16-14(21(22)23)15(18-10-19-16)17-9-13-3-2-8-24-13/h2-8,10H,9H2,1H3,(H2,17,18,19,20)