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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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