N'-[6-[4-(2-hydroxyethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-4-methoxy-benzohydrazide

Systemtic Name: N'-[6-[4-(2-hydroxyethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-4-methoxy-benzohydrazide Openeye Name: N'-[6-[4-(2-hydroxyethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-4-methoxy-benzohydrazide CAS Name: N'-[6-[4-(2-hydroxyethyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]-4-methoxybenzohydrazide IUPAC Name: N'-[6-[4-(2-hydroxyethyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]-4-methoxybenzohydrazide Traditional Name: N'-[6-[4-(2-hydroxyethyl)piperazino]-5-nitro-pyrimidin-4-yl]-4-methoxy-benzohydrazide Formula: C18H23N7O5 MolecularWeight: 417.41912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NNC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CCO

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NNC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CCO

InChI

InChI=1S/C18H23N7O5/c1-30-14-4-2-13(3-5-14)18(27)22-21-16-15(25(28)29)17(20-12-19-16)24-8-6-23(7-9-24)10-11-26/h2-5,12,26H,6-11H2,1H3,(H,22,27)(H,19,20,21)