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

Systemtic Name: N6-[(2-chlorophenyl)methyl]-N4-(furan-2-ylmethyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-[(2-chlorophenyl)methyl]-N4-(2-furylmethyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-[(2-chlorophenyl)methyl]-N4-(2-furanylmethyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-[(2-chlorophenyl)methyl]-4-N-(furan-2-ylmethyl)-5-nitropyrimidine-4,6-diamine Traditional Name: (2-chlorobenzyl)-[6-(2-furfurylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C16H14ClN5O3 MolecularWeight: 359.76706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClN5O3/c17-13-6-2-1-4-11(13)8-18-15-14(22(23)24)16(21-10-20-15)19-9-12-5-3-7-25-12/h1-7,10H,8-9H2,(H2,18,19,20,21)