3-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-1,3-thiazolidine

Systemtic Name: 3-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-1,3-thiazolidine Openeye Name: 3-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]thiazolidine CAS Name: 3-[6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]thiazolidine IUPAC Name: 3-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]-1,3-thiazolidine Traditional Name: 3-[5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]thiazolidine Formula: C19H22N6O4S MolecularWeight: 430.48078

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=NC=N4)N5CCSC5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=NC=N4)N5CCSC5)[N+](=O)[O-]

InChI

InChI=1S/C19H22N6O4S/c26-25(27)17-18(20-11-21-19(17)24-7-8-30-12-24)23-5-3-22(4-6-23)10-14-1-2-15-16(9-14)29-13-28-15/h1-2,9,11H,3-8,10,12-13H2