N4-(3,4-dimethylphenyl)-N2-(furan-2-ylmethyl)-5-nitro-pyrimidine-2,4,6-triamine

Systemtic Name: N4-(3,4-dimethylphenyl)-N2-(furan-2-ylmethyl)-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N4-(3,4-dimethylphenyl)-N2-(2-furylmethyl)-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N4-(3,4-dimethylphenyl)-N2-(2-furanylmethyl)-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 4-N-(3,4-dimethylphenyl)-2-N-(furan-2-ylmethyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [4-amino-6-(3,4-dimethylanilino)-5-nitro-pyrimidin-2-yl]-(2-furfuryl)amine Formula: C17H18N6O3 MolecularWeight: 354.36322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCC3=CC=CO3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCC3=CC=CO3)C

InChI

InChI=1S/C17H18N6O3/c1-10-5-6-12(8-11(10)2)20-16-14(23(24)25)15(18)21-17(22-16)19-9-13-4-3-7-26-13/h3-8H,9H2,1-2H3,(H4,18,19,20,21,22)