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

Systemtic Name: 4-imidazol-1-yl-6-methyl-5-nitro-2-[(2S)-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]pyrimidine Openeye Name: 4-imidazol-1-yl-2-[(2S)-2-(isopropoxymethyl)pyrrolidin-1-yl]-6-methyl-5-nitro-pyrimidine CAS Name: 4-(1-imidazolyl)-6-methyl-5-nitro-2-[(2S)-2-(propan-2-yloxymethyl)-1-pyrrolidinyl]pyrimidine IUPAC Name: 4-imidazol-1-yl-6-methyl-5-nitro-2-[(2S)-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]pyrimidine Traditional Name: 4-imidazol-1-yl-2-[(2S)-2-(isopropoxymethyl)pyrrolidino]-6-methyl-5-nitro-pyrimidine Formula: C16H22N6O3 MolecularWeight: 346.38428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N6O3/c1-11(2)25-9-13-5-4-7-21(13)16-18-12(3)14(22(23)24)15(19-16)20-8-6-17-10-20/h6,8,10-11,13H,4-5,7,9H2,1-3H3/t13-/m0/s1