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

Systemtic Name: N6-(furan-2-ylmethyl)-5-nitro-N4-(1-phenylethyl)pyrimidine-4,6-diamine Openeye Name: N6-(2-furylmethyl)-5-nitro-N4-(1-phenylethyl)pyrimidine-4,6-diamine CAS Name: N6-(2-furanylmethyl)-5-nitro-N4-(1-phenylethyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-(furan-2-ylmethyl)-5-nitro-4-N-(1-phenylethyl)pyrimidine-4,6-diamine Traditional Name: 2-furfuryl-[5-nitro-6-(1-phenylethylamino)pyrimidin-4-yl]amine Formula: C17H17N5O3 MolecularWeight: 339.34858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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