N-cyclopropyl-5-nitro-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidin-4-amine

Systemtic Name: N-cyclopropyl-5-nitro-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidin-4-amine Openeye Name: N-cyclopropyl-5-nitro-2-[4-(4-pyridylmethyl)piperazin-1-yl]pyrimidin-4-amine CAS Name: N-cyclopropyl-5-nitro-2-[4-(pyridin-4-ylmethyl)-1-piperazinyl]-4-pyrimidinamine IUPAC Name: N-cyclopropyl-5-nitro-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidin-4-amine Traditional Name: cyclopropyl-[5-nitro-2-[4-(4-pyridylmethyl)piperazino]pyrimidin-4-yl]amine Formula: C17H21N7O2 MolecularWeight: 355.39434

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=NC(=NC=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC=NC=C4

Isomeric SMILES

C1CC1NC2=NC(=NC=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC=NC=C4

InChI

InChI=1S/C17H21N7O2/c25-24(26)15-11-19-17(21-16(15)20-14-1-2-14)23-9-7-22(8-10-23)12-13-3-5-18-6-4-13/h3-6,11,14H,1-2,7-10,12H2,(H,19,20,21)