4-imidazol-1-yl-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-methyl-5-nitro-pyrimidine

Systemtic Name: 4-imidazol-1-yl-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-methyl-5-nitro-pyrimidine Openeye Name: 4-imidazol-1-yl-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-methyl-5-nitro-pyrimidine CAS Name: 4-(1-imidazolyl)-2-[(2S)-2-(methoxymethyl)-1-pyrrolidinyl]-6-methyl-5-nitropyrimidine IUPAC Name: 4-imidazol-1-yl-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-methyl-5-nitropyrimidine Traditional Name: 4-imidazol-1-yl-2-[(2S)-2-(methoxymethyl)pyrrolidino]-6-methyl-5-nitro-pyrimidine Formula: C14H18N6O3 MolecularWeight: 318.33112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)N2CCCC2COC)N3C=CN=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)N2CCC[C@H]2COC)N3C=CN=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H18N6O3/c1-10-12(20(21)22)13(18-7-5-15-9-18)17-14(16-10)19-6-3-4-11(19)8-23-2/h5,7,9,11H,3-4,6,8H2,1-2H3/t11-/m0/s1