5-methyl-N-[5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-yl]-1,2-oxazol-3-amine

Systemtic Name: 5-methyl-N-[5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-yl]-1,2-oxazol-3-amine Openeye Name: N-[6-(4-benzylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]-5-methyl-isoxazol-3-amine CAS Name: 5-methyl-N-[5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinyl]-3-isoxazolamine IUPAC Name: N-[6-(4-benzylpiperazin-1-yl)-5-nitropyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine Traditional Name: [6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]-(5-methylisoxazol-3-yl)amine Formula: C19H21N7O3 MolecularWeight: 395.41514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=NO1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C19H21N7O3/c1-14-11-16(23-29-14)22-18-17(26(27)28)19(21-13-20-18)25-9-7-24(8-10-25)12-15-5-3-2-4-6-15/h2-6,11,13H,7-10,12H2,1H3,(H,20,21,22,23)