2-[[4-azanyl-6-[(3S)-3-methylpiperidin-1-yl]-5-nitro-pyrimidin-2-yl]amino]ethanol

Systemtic Name: 2-[[4-azanyl-6-[(3S)-3-methylpiperidin-1-yl]-5-nitro-pyrimidin-2-yl]amino]ethanol Openeye Name: 2-[[4-amino-6-[(3S)-3-methyl-1-piperidyl]-5-nitro-pyrimidin-2-yl]amino]ethanol CAS Name: 2-[[4-amino-6-[(3S)-3-methyl-1-piperidinyl]-5-nitro-2-pyrimidinyl]amino]ethanol IUPAC Name: 2-[[4-amino-6-[(3S)-3-methylpiperidin-1-yl]-5-nitropyrimidin-2-yl]amino]ethanol Traditional Name: 2-[[4-amino-6-[(3S)-3-methylpiperidino]-5-nitro-pyrimidin-2-yl]amino]ethanol Formula: C12H20N6O3 MolecularWeight: 296.3256

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C(=NC(=N2)NCCO)N)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)C2=C(C(=NC(=N2)NCCO)N)[N+](=O)[O-]

InChI

InChI=1S/C12H20N6O3/c1-8-3-2-5-17(7-8)11-9(18(20)21)10(13)15-12(16-11)14-4-6-19/h8,19H,2-7H2,1H3,(H3,13,14,15,16)/t8-/m0/s1