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

Systemtic Name: N-[6-[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-4,5-dimethyl-1,3-thiazol-2-amine Openeye Name: N-[6-(4-benzhydrylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]-4,5-dimethyl-thiazol-2-amine CAS Name: N-[6-[4-(diphenylmethyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]-4,5-dimethyl-2-thiazolamine IUPAC Name: N-[6-(4-benzhydrylpiperazin-1-yl)-5-nitropyrimidin-4-yl]-4,5-dimethyl-1,3-thiazol-2-amine Traditional Name: [6-(4-benzhydrylpiperazino)-5-nitro-pyrimidin-4-yl]-(4,5-dimethylthiazol-2-yl)amine Formula: C26H27N7O2S MolecularWeight: 501.60328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=C(SC(=N1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C

InChI

InChI=1S/C26H27N7O2S/c1-18-19(2)36-26(29-18)30-24-23(33(34)35)25(28-17-27-24)32-15-13-31(14-16-32)22(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,17,22H,13-16H2,1-2H3,(H,27,28,29,30)