4-[[5-nitro-6-(2-piperidin-1-ylethylamino)pyrimidin-4-yl]amino]benzoic acid

Systemtic Name: 4-[[5-nitro-6-(2-piperidin-1-ylethylamino)pyrimidin-4-yl]amino]benzoic acid Openeye Name: 4-[[5-nitro-6-[2-(1-piperidyl)ethylamino]pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[[5-nitro-6-[2-(1-piperidinyl)ethylamino]-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[5-nitro-6-(2-piperidin-1-ylethylamino)pyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-[[5-nitro-6-(2-piperidinoethylamino)pyrimidin-4-yl]amino]benzoic acid Formula: C18H22N6O4 MolecularWeight: 386.40508

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CCN(CC1)CCNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C18H22N6O4/c25-18(26)13-4-6-14(7-5-13)22-17-15(24(27)28)16(20-12-21-17)19-8-11-23-9-2-1-3-10-23/h4-7,12H,1-3,8-11H2,(H,25,26)(H2,19,20,21,22)