2-[[4-azanyl-6-(4-methylpiperidin-1-yl)-5-nitro-pyrimidin-2-yl]amino]ethanoic acid

Systemtic Name: 2-[[4-azanyl-6-(4-methylpiperidin-1-yl)-5-nitro-pyrimidin-2-yl]amino]ethanoic acid Openeye Name: 2-[[4-amino-6-(4-methyl-1-piperidyl)-5-nitro-pyrimidin-2-yl]amino]acetic acid CAS Name: 2-[[4-amino-6-(4-methyl-1-piperidinyl)-5-nitro-2-pyrimidinyl]amino]acetic acid IUPAC Name: 2-[[4-amino-6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-2-yl]amino]acetic acid Traditional Name: 2-[[4-amino-6-(4-methylpiperidino)-5-nitro-pyrimidin-2-yl]amino]acetic acid Formula: C12H18N6O4 MolecularWeight: 310.30912

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C(=NC(=N2)NCC(=O)O)N)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C(=NC(=N2)NCC(=O)O)N)[N+](=O)[O-]

InChI

InChI=1S/C12H18N6O4/c1-7-2-4-17(5-3-7)11-9(18(21)22)10(13)15-12(16-11)14-6-8(19)20/h7H,2-6H2,1H3,(H,19,20)(H3,13,14,15,16)