4-but-2-ynoxy-6-(3,3-dimethylpyrrolidin-1-yl)-5-fluoranyl-pyrimidine; 2-methyl-1-nitro-3-(oxolan-3-ylmethyl)guanidine

Systemtic Name: 4-but-2-ynoxy-6-(3,3-dimethylpyrrolidin-1-yl)-5-fluoranyl-pyrimidine; 2-methyl-1-nitro-3-(oxolan-3-ylmethyl)guanidine Openeye Name: 4-but-2-ynoxy-6-(3,3-dimethylpyrrolidin-1-yl)-5-fluoro-pyrimidine; 2-methyl-1-nitro-3-(tetrahydrofuran-3-ylmethyl)guanidine CAS Name: 4-but-2-ynoxy-6-(3,3-dimethyl-1-pyrrolidinyl)-5-fluoropyrimidine; 2-methyl-1-nitro-3-(3-oxolanylmethyl)guanidine IUPAC Name: 4-but-2-ynoxy-6-(3,3-dimethylpyrrolidin-1-yl)-5-fluoropyrimidine; 2-methyl-1-nitro-3-(oxolan-3-ylmethyl)guanidine Traditional Name: 4-but-2-ynoxy-6-(3,3-dimethylpyrrolidino)-5-fluoro-pyrimidine; 2-methyl-1-nitro-3-(tetrahydrofuran-3-ylmethyl)guanidine Formula: C21H32FN7O4 MolecularWeight: 465.521683

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=NC=NC(=C1F)N2CCC(C2)(C)C.CN=C(NCC1CCOC1)N[N+](=O)[O-]

Isomeric SMILES

CC#CCOC1=NC=NC(=C1F)N2CCC(C2)(C)C.CN=C(NCC1CCOC1)N[N+](=O)[O-]

InChI

InChI=1S/C14H18FN3O.C7H14N4O3/c1-4-5-8-19-13-11(15)12(16-10-17-13)18-7-6-14(2,3)9-18;1-8-7(10-11(12)13)9-4-6-2-3-14-5-6/h10H,6-9H2,1-3H3;6H,2-5H2,1H3,(H2,8,9,10)