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

Systemtic Name: N-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-4,5-dimethyl-1,3-thiazol-2-amine Openeye Name: N-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-4,5-dimethyl-thiazol-2-amine CAS Name: N-[6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]-4,5-dimethyl-2-thiazolamine IUPAC Name: N-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]-4,5-dimethyl-1,3-thiazol-2-amine Traditional Name: (4,5-dimethylthiazol-2-yl)-[5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]amine Formula: C21H23N7O4S MolecularWeight: 469.51682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CC1=C(SC(=N1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C21H23N7O4S/c1-13-14(2)33-21(24-13)25-19-18(28(29)30)20(23-11-22-19)27-7-5-26(6-8-27)10-15-3-4-16-17(9-15)32-12-31-16/h3-4,9,11H,5-8,10,12H2,1-2H3,(H,22,23,24,25)