4-[[4-[3-(hydroxymethyl)piperidin-1-yl]-5-nitro-pyrimidin-2-yl]amino]benzamide

Systemtic Name: 4-[[4-[3-(hydroxymethyl)piperidin-1-yl]-5-nitro-pyrimidin-2-yl]amino]benzamide Openeye Name: 4-[[4-[3-(hydroxymethyl)-1-piperidyl]-5-nitro-pyrimidin-2-yl]amino]benzamide CAS Name: 4-[[4-[3-(hydroxymethyl)-1-piperidinyl]-5-nitro-2-pyrimidinyl]amino]benzamide IUPAC Name: 4-[[4-[3-(hydroxymethyl)piperidin-1-yl]-5-nitropyrimidin-2-yl]amino]benzamide Traditional Name: 4-[[4-(3-methylolpiperidino)-5-nitro-pyrimidin-2-yl]amino]benzamide Formula: C17H20N6O4 MolecularWeight: 372.3785

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)N)CO

Isomeric SMILES

C1CC(CN(C1)C2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)N)CO

InChI

InChI=1S/C17H20N6O4/c18-15(25)12-3-5-13(6-4-12)20-17-19-8-14(23(26)27)16(21-17)22-7-1-2-11(9-22)10-24/h3-6,8,11,24H,1-2,7,9-10H2,(H2,18,25)(H,19,20,21)