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

Systemtic Name: 4,5-dimethyl-N-[5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine Openeye Name: 4,5-dimethyl-N-[5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]thiazol-2-amine CAS Name: 4,5-dimethyl-N-[5-nitro-6-(4-phenyl-1-piperazinyl)-4-pyrimidinyl]-2-thiazolamine IUPAC Name: 4,5-dimethyl-N-[5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine Traditional Name: (4,5-dimethylthiazol-2-yl)-[5-nitro-6-(4-phenylpiperazino)pyrimidin-4-yl]amine Formula: C19H21N7O2S MolecularWeight: 411.48074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N7O2S/c1-13-14(2)29-19(22-13)23-17-16(26(27)28)18(21-12-20-17)25-10-8-24(9-11-25)15-6-4-3-5-7-15/h3-7,12H,8-11H2,1-2H3,(H,20,21,22,23)