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

Systemtic Name: N6-(furan-2-ylmethyl)-5-nitro-N4-(4-phenoxyphenyl)pyrimidine-4,6-diamine Openeye Name: N6-(2-furylmethyl)-5-nitro-N4-(4-phenoxyphenyl)pyrimidine-4,6-diamine CAS Name: N6-(2-furanylmethyl)-5-nitro-N4-(4-phenoxyphenyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-(furan-2-ylmethyl)-5-nitro-4-N-(4-phenoxyphenyl)pyrimidine-4,6-diamine Traditional Name: 2-furfuryl-[5-nitro-6-(4-phenoxyanilino)pyrimidin-4-yl]amine Formula: C21H17N5O4 MolecularWeight: 403.39078

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC3=C(C(=NC=N3)NCC4=CC=CO4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC3=C(C(=NC=N3)NCC4=CC=CO4)[N+](=O)[O-]

InChI

InChI=1S/C21H17N5O4/c27-26(28)19-20(22-13-18-7-4-12-29-18)23-14-24-21(19)25-15-8-10-17(11-9-15)30-16-5-2-1-3-6-16/h1-12,14H,13H2,(H2,22,23,24,25)