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

Systemtic Name: N-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine Openeye Name: N-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-5-methyl-isoxazol-3-amine CAS Name: N-[6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]-5-methyl-3-isoxazolamine IUPAC Name: N-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine Traditional Name: (5-methylisoxazol-3-yl)-[5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]amine Formula: C20H21N7O5 MolecularWeight: 439.42464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC(=NO1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C20H21N7O5/c1-13-8-17(24-32-13)23-19-18(27(28)29)20(22-11-21-19)26-6-4-25(5-7-26)10-14-2-3-15-16(9-14)31-12-30-15/h2-3,8-9,11H,4-7,10,12H2,1H3,(H,21,22,23,24)