4-[[6-[2-(1H-imidazol-2-yl)ethyl]-5-nitro-pyrimidin-4-yl]amino]butan-1-ol

Systemtic Name: 4-[[6-[2-(1H-imidazol-2-yl)ethyl]-5-nitro-pyrimidin-4-yl]amino]butan-1-ol Openeye Name: 4-[[6-[2-(1H-imidazol-2-yl)ethyl]-5-nitro-pyrimidin-4-yl]amino]butan-1-ol CAS Name: 4-[[6-[2-(1H-imidazol-2-yl)ethyl]-5-nitro-4-pyrimidinyl]amino]-1-butanol IUPAC Name: 4-[[6-[2-(1H-imidazol-2-yl)ethyl]-5-nitropyrimidin-4-yl]amino]butan-1-ol Traditional Name: 4-[[6-[2-(1H-imidazol-2-yl)ethyl]-5-nitro-pyrimidin-4-yl]amino]butan-1-ol Formula: C13H18N6O3 MolecularWeight: 306.32042

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N1)CCC2=C(C(=NC=N2)NCCCCO)[N+](=O)[O-]

Isomeric SMILES

C1=CN=C(N1)CCC2=C(C(=NC=N2)NCCCCO)[N+](=O)[O-]

InChI

InChI=1S/C13H18N6O3/c20-8-2-1-5-16-13-12(19(21)22)10(17-9-18-13)3-4-11-14-6-7-15-11/h6-7,9,20H,1-5,8H2,(H,14,15)(H,16,17,18)