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

Systemtic Name: N4-(furan-2-ylmethyl)-N6-[(4-methylphenyl)methyl]-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(2-furylmethyl)-5-nitro-N6-(p-tolylmethyl)pyrimidine-4,6-diamine CAS Name: N4-(2-furanylmethyl)-N6-[(4-methylphenyl)methyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(furan-2-ylmethyl)-6-N-[(4-methylphenyl)methyl]-5-nitropyrimidine-4,6-diamine Traditional Name: 2-furfuryl-[6-[(4-methylbenzyl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C17H17N5O3 MolecularWeight: 339.34858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=C(C(=NC=N2)NCC3=CC=CO3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=C(C(=NC=N2)NCC3=CC=CO3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O3/c1-12-4-6-13(7-5-12)9-18-16-15(22(23)24)17(21-11-20-16)19-10-14-3-2-8-25-14/h2-8,11H,9-10H2,1H3,(H2,18,19,20,21)