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

Systemtic Name: 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]thiazol-2-amine CAS Name: N-[5-nitro-6-[4-(phenylmethyl)-1-piperidinyl]-4-pyrimidinyl]-2-thiazolamine IUPAC Name: N-[6-(4-benzylpiperidin-1-yl)-5-nitropyrimidin-4-yl]-1,3-thiazol-2-amine Traditional Name: [6-(4-benzylpiperidino)-5-nitro-pyrimidin-4-yl]-thiazol-2-yl-amine Formula: C19H20N6O2S MolecularWeight: 396.4661

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=NC=N3)NC4=NC=CS4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=NC=N3)NC4=NC=CS4)[N+](=O)[O-]

InChI

InChI=1S/C19H20N6O2S/c26-25(27)16-17(23-19-20-8-11-28-19)21-13-22-18(16)24-9-6-15(7-10-24)12-14-4-2-1-3-5-14/h1-5,8,11,13,15H,6-7,9-10,12H2,(H,20,21,22,23)