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

Systemtic Name: N-[6-[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-1,3-benzothiazol-2-amine Openeye Name: N-[6-(4-benzhydrylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]-1,3-benzothiazol-2-amine CAS Name: N-[6-[4-(diphenylmethyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]-1,3-benzothiazol-2-amine IUPAC Name: N-[6-(4-benzhydrylpiperazin-1-yl)-5-nitropyrimidin-4-yl]-1,3-benzothiazol-2-amine Traditional Name: [6-(4-benzhydrylpiperazino)-5-nitro-pyrimidin-4-yl]-(1,3-benzothiazol-2-yl)amine Formula: C28H25N7O2S MolecularWeight: 523.6088

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=NC=N2)NC3=NC4=CC=CC=C4S3)[N+](=O)[O-])C(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1C2=C(C(=NC=N2)NC3=NC4=CC=CC=C4S3)[N+](=O)[O-])C(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C28H25N7O2S/c36-35(37)25-26(32-28-31-22-13-7-8-14-23(22)38-28)29-19-30-27(25)34-17-15-33(16-18-34)24(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,19,24H,15-18H2,(H,29,30,31,32)