6-[1-(3-methylbutyl)piperidin-4-yl]oxy-N-(4-methylsulfonylphenyl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-[1-(3-methylbutyl)piperidin-4-yl]oxy-N-(4-methylsulfonylphenyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-[(1-isopentyl-4-piperidyl)oxy]-N-(4-methylsulfonylphenyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-[[1-(3-methylbutyl)-4-piperidinyl]oxy]-N-(4-methylsulfonylphenyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-[1-(3-methylbutyl)piperidin-4-yl]oxy-N-(4-methylsulfonylphenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-[(1-isoamyl-4-piperidyl)oxy]-5-nitro-pyrimidin-4-yl]-(4-mesylphenyl)amine Formula: C21H29N5O5S MolecularWeight: 463.55046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1CCC(CC1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC(C)CCN1CCC(CC1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C21H29N5O5S/c1-15(2)8-11-25-12-9-17(10-13-25)31-21-19(26(27)28)20(22-14-23-21)24-16-4-6-18(7-5-16)32(3,29)30/h4-7,14-15,17H,8-13H2,1-3H3,(H,22,23,24)