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

Systemtic Name: 4,5-dimethyl-N-[5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine Openeye Name: N-[6-(4-benzyl-1-piperidyl)-5-nitro-pyrimidin-4-yl]-4,5-dimethyl-thiazol-2-amine CAS Name: 4,5-dimethyl-N-[5-nitro-6-[4-(phenylmethyl)-1-piperidinyl]-4-pyrimidinyl]-2-thiazolamine IUPAC Name: N-[6-(4-benzylpiperidin-1-yl)-5-nitropyrimidin-4-yl]-4,5-dimethyl-1,3-thiazol-2-amine Traditional Name: [6-(4-benzylpiperidino)-5-nitro-pyrimidin-4-yl]-(4,5-dimethylthiazol-2-yl)amine Formula: C21H24N6O2S MolecularWeight: 424.51926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(SC(=N1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C21H24N6O2S/c1-14-15(2)30-21(24-14)25-19-18(27(28)29)20(23-13-22-19)26-10-8-17(9-11-26)12-16-6-4-3-5-7-16/h3-7,13,17H,8-12H2,1-2H3,(H,22,23,24,25)