N6-(furan-2-ylmethyl)-N4-methyl-N4-(1-methylpiperidin-4-yl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-(furan-2-ylmethyl)-N4-methyl-N4-(1-methylpiperidin-4-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(2-furylmethyl)-N4-methyl-N4-(1-methyl-4-piperidyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(2-furanylmethyl)-N4-methyl-N4-(1-methyl-4-piperidinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(furan-2-ylmethyl)-4-N-methyl-4-N-(1-methylpiperidin-4-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(2-furfurylamino)-5-nitro-pyrimidin-4-yl]-methyl-(1-methyl-4-piperidyl)amine Formula: C16H22N6O3 MolecularWeight: 346.38428

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)N(C)C2=NC=NC(=C2[N+](=O)[O-])NCC3=CC=CO3

Isomeric SMILES

CN1CCC(CC1)N(C)C2=NC=NC(=C2[N+](=O)[O-])NCC3=CC=CO3

InChI

InChI=1S/C16H22N6O3/c1-20-7-5-12(6-8-20)21(2)16-14(22(23)24)15(18-11-19-16)17-10-13-4-3-9-25-13/h3-4,9,11-12H,5-8,10H2,1-2H3,(H,17,18,19)