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

Systemtic Name: N6-(furan-2-ylmethyl)-5-nitro-N4-(phenylmethyl)-N4-pyridin-2-yl-pyrimidine-4,6-diamine Openeye Name: N4-benzyl-N6-(2-furylmethyl)-5-nitro-N4-(2-pyridyl)pyrimidine-4,6-diamine CAS Name: N6-(2-furanylmethyl)-5-nitro-N4-(phenylmethyl)-N4-(2-pyridinyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-6-N-(furan-2-ylmethyl)-5-nitro-4-N-pyridin-2-ylpyrimidine-4,6-diamine Traditional Name: benzyl-[6-(2-furfurylamino)-5-nitro-pyrimidin-4-yl]-(2-pyridyl)amine Formula: C21H18N6O3 MolecularWeight: 402.40602

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(C2=CC=CC=N2)C3=NC=NC(=C3[N+](=O)[O-])NCC4=CC=CO4

Isomeric SMILES

C1=CC=C(C=C1)CN(C2=CC=CC=N2)C3=NC=NC(=C3[N+](=O)[O-])NCC4=CC=CO4

InChI

InChI=1S/C21H18N6O3/c28-27(29)19-20(23-13-17-9-6-12-30-17)24-15-25-21(19)26(18-10-4-5-11-22-18)14-16-7-2-1-3-8-16/h1-12,15H,13-14H2,(H,23,24,25)