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

Systemtic Name: N-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-1,3-benzothiazol-2-amine Openeye Name: N-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-1,3-benzothiazol-2-amine CAS Name: N-[6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]-1,3-benzothiazol-2-amine IUPAC Name: N-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]-1,3-benzothiazol-2-amine Traditional Name: 1,3-benzothiazol-2-yl-[5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]amine Formula: C23H21N7O4S MolecularWeight: 491.52234

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=NC=N4)NC5=NC6=CC=CC=C6S5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=NC=N4)NC5=NC6=CC=CC=C6S5)[N+](=O)[O-]

InChI

InChI=1S/C23H21N7O4S/c31-30(32)20-21(27-23-26-16-3-1-2-4-19(16)35-23)24-13-25-22(20)29-9-7-28(8-10-29)12-15-5-6-17-18(11-15)34-14-33-17/h1-6,11,13H,7-10,12,14H2,(H,24,25,26,27)