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

Systemtic Name: 2-[[4-azanyl-6-[(3S)-3-methylpiperidin-1-yl]-5-nitro-pyrimidin-2-yl]amino]ethanoic acid Openeye Name: 2-[[4-amino-6-[(3S)-3-methyl-1-piperidyl]-5-nitro-pyrimidin-2-yl]amino]acetic acid CAS Name: 2-[[4-amino-6-[(3S)-3-methyl-1-piperidinyl]-5-nitro-2-pyrimidinyl]amino]acetic acid IUPAC Name: 2-[[4-amino-6-[(3S)-3-methylpiperidin-1-yl]-5-nitropyrimidin-2-yl]amino]acetic acid Traditional Name: 2-[[4-amino-6-[(3S)-3-methylpiperidino]-5-nitro-pyrimidin-2-yl]amino]acetic acid Formula: C12H18N6O4 MolecularWeight: 310.30912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N6O4/c1-7-3-2-4-17(6-7)11-9(18(21)22)10(13)15-12(16-11)14-5-8(19)20/h7H,2-6H2,1H3,(H,19,20)(H3,13,14,15,16)/t7-/m0/s1