N'-[6-[methyl-(1-methylpiperidin-4-yl)amino]-5-nitro-pyrimidin-4-yl]furan-2-carbohydrazide

Systemtic Name: N'-[6-[methyl-(1-methylpiperidin-4-yl)amino]-5-nitro-pyrimidin-4-yl]furan-2-carbohydrazide Openeye Name: N'-[6-[methyl-(1-methyl-4-piperidyl)amino]-5-nitro-pyrimidin-4-yl]furan-2-carbohydrazide CAS Name: N'-[6-[methyl-(1-methyl-4-piperidinyl)amino]-5-nitro-4-pyrimidinyl]-2-furancarbohydrazide IUPAC Name: N'-[6-[methyl-(1-methylpiperidin-4-yl)amino]-5-nitropyrimidin-4-yl]furan-2-carbohydrazide Traditional Name: N'-[6-[methyl-(1-methyl-4-piperidyl)amino]-5-nitro-pyrimidin-4-yl]-2-furohydrazide Formula: C16H21N7O4 MolecularWeight: 375.38244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)N(C)C2=NC=NC(=C2[N+](=O)[O-])NNC(=O)C3=CC=CO3

Isomeric SMILES

CN1CCC(CC1)N(C)C2=NC=NC(=C2[N+](=O)[O-])NNC(=O)C3=CC=CO3

InChI

InChI=1S/C16H21N7O4/c1-21-7-5-11(6-8-21)22(2)15-13(23(25)26)14(17-10-18-15)19-20-16(24)12-4-3-9-27-12/h3-4,9-11H,5-8H2,1-2H3,(H,20,24)(H,17,18,19)