(1R,2S)-1-[(4-imidazol-1-yl-6-methyl-5-nitro-pyrimidin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol

Systemtic Name: (1R,2S)-1-[(4-imidazol-1-yl-6-methyl-5-nitro-pyrimidin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol Openeye Name: (1R,2S)-1-[(4-imidazol-1-yl-6-methyl-5-nitro-pyrimidin-2-yl)amino]indan-2-ol CAS Name: (1R,2S)-1-[[4-(1-imidazolyl)-6-methyl-5-nitro-2-pyrimidinyl]amino]-2,3-dihydro-1H-inden-2-ol IUPAC Name: (1R,2S)-1-[(4-imidazol-1-yl-6-methyl-5-nitropyrimidin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol Traditional Name: (1R,2S)-1-[(4-imidazol-1-yl-6-methyl-5-nitro-pyrimidin-2-yl)amino]indan-2-ol Formula: C17H16N6O3 MolecularWeight: 352.34734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)NC2C(CC3=CC=CC=C23)O)N4C=CN=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)N[C@H]2[C@H](CC3=CC=CC=C23)O)N4C=CN=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H16N6O3/c1-10-15(23(25)26)16(22-7-6-18-9-22)21-17(19-10)20-14-12-5-3-2-4-11(12)8-13(14)24/h2-7,9,13-14,24H,8H2,1H3,(H,19,20,21)/t13-,14+/m0/s1