N4-(4-ethoxyphenyl)-N2-(furan-2-ylmethyl)-5-nitro-pyrimidine-2,4,6-triamine

Systemtic Name: N4-(4-ethoxyphenyl)-N2-(furan-2-ylmethyl)-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N4-(4-ethoxyphenyl)-N2-(2-furylmethyl)-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N4-(4-ethoxyphenyl)-N2-(2-furanylmethyl)-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 4-N-(4-ethoxyphenyl)-2-N-(furan-2-ylmethyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [6-amino-2-(2-furfurylamino)-5-nitro-pyrimidin-4-yl]-p-phenetyl-amine Formula: C17H18N6O4 MolecularWeight: 370.36262

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCC3=CC=CO3

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCC3=CC=CO3

InChI

InChI=1S/C17H18N6O4/c1-2-26-12-7-5-11(6-8-12)20-16-14(23(24)25)15(18)21-17(22-16)19-10-13-4-3-9-27-13/h3-9H,2,10H2,1H3,(H4,18,19,20,21,22)