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

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-chloranyl-5-nitro-pyrimidine Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-chloro-5-nitro-pyrimidine CAS Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-6-chloro-5-nitropyrimidine IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-chloro-5-nitropyrimidine Traditional Name: 4-chloro-5-nitro-6-(4-piperonylpiperazino)pyrimidine Formula: C16H16ClN5O4 MolecularWeight: 377.78234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClN5O4/c17-15-14(22(23)24)16(19-9-18-15)21-5-3-20(4-6-21)8-11-1-2-12-13(7-11)26-10-25-12/h1-2,7,9H,3-6,8,10H2