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

Systemtic Name: N-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-1,3-thiazol-2-amine Openeye Name: N-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]thiazol-2-amine CAS Name: N-[6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]-2-thiazolamine IUPAC Name: N-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]-1,3-thiazol-2-amine Traditional Name: [5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]-thiazol-2-yl-amine Formula: C19H19N7O4S MolecularWeight: 441.46366

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=NC=N4)NC5=NC=CS5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=NC=N4)NC5=NC=CS5)[N+](=O)[O-]

InChI

InChI=1S/C19H19N7O4S/c27-26(28)16-17(23-19-20-3-8-31-19)21-11-22-18(16)25-6-4-24(5-7-25)10-13-1-2-14-15(9-13)30-12-29-14/h1-3,8-9,11H,4-7,10,12H2,(H,20,21,22,23)