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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC2=C(C(=NC=N2)NCC3=CC=CO3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC2=C(C(=NC=N2)NCC3=CC=CO3)[N+](=O)[O-]

InChI

InChI=1S/C16H14ClN5O3/c1-10-4-5-11(17)7-13(10)21-16-14(22(23)24)15(19-9-20-16)18-8-12-3-2-6-25-12/h2-7,9H,8H2,1H3,(H2,18,19,20,21)