N4-(furan-2-ylmethyl)-N2-(3-methoxypropyl)-5-nitro-pyrimidine-2,4,6-triamine

Systemtic Name: N4-(furan-2-ylmethyl)-N2-(3-methoxypropyl)-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N4-(2-furylmethyl)-N2-(3-methoxypropyl)-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N4-(2-furanylmethyl)-N2-(3-methoxypropyl)-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 4-N-(furan-2-ylmethyl)-2-N-(3-methoxypropyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [4-amino-6-(2-furfurylamino)-5-nitro-pyrimidin-2-yl]-(3-methoxypropyl)amine Formula: C13H18N6O4 MolecularWeight: 322.31982

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC1=NC(=C(C(=N1)NCC2=CC=CO2)[N+](=O)[O-])N

Isomeric SMILES

COCCCNC1=NC(=C(C(=N1)NCC2=CC=CO2)[N+](=O)[O-])N

InChI

InChI=1S/C13H18N6O4/c1-22-6-3-5-15-13-17-11(14)10(19(20)21)12(18-13)16-8-9-4-2-7-23-9/h2,4,7H,3,5-6,8H2,1H3,(H4,14,15,16,17,18)