2-[4-[6-[2-(cyclohexen-1-yl)ethylamino]-5-nitro-pyrimidin-4-yl]piperazin-1-yl]ethanol

Systemtic Name: 2-[4-[6-[2-(cyclohexen-1-yl)ethylamino]-5-nitro-pyrimidin-4-yl]piperazin-1-yl]ethanol Openeye Name: 2-[4-[6-[2-(cyclohexen-1-yl)ethylamino]-5-nitro-pyrimidin-4-yl]piperazin-1-yl]ethanol CAS Name: 2-[4-[6-[2-(1-cyclohexenyl)ethylamino]-5-nitro-4-pyrimidinyl]-1-piperazinyl]ethanol IUPAC Name: 2-[4-[6-[2-(cyclohexen-1-yl)ethylamino]-5-nitropyrimidin-4-yl]piperazin-1-yl]ethanol Traditional Name: 2-[4-[6-[2-(cyclohexen-1-yl)ethylamino]-5-nitro-pyrimidin-4-yl]piperazino]ethanol Formula: C18H28N6O3 MolecularWeight: 376.45332

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CCO

Isomeric SMILES

C1CCC(=CC1)CCNC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CCO

InChI

InChI=1S/C18H28N6O3/c25-13-12-22-8-10-23(11-9-22)18-16(24(26)27)17(20-14-21-18)19-7-6-15-4-2-1-3-5-15/h4,14,25H,1-3,5-13H2,(H,19,20,21)