2-(1,3-benzodioxol-5-ylmethyl)-4-chloranyl-5-ethyl-pyrimidine

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-chloranyl-5-ethyl-pyrimidine Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-chloro-5-ethyl-pyrimidine CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-chloro-5-ethylpyrimidine IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-chloro-5-ethylpyrimidine Traditional Name: 4-chloro-5-ethyl-2-piperonyl-pyrimidine Formula: C14H13ClN2O2 MolecularWeight: 276.71822

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(N=C1Cl)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCC1=CN=C(N=C1Cl)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C14H13ClN2O2/c1-2-10-7-16-13(17-14(10)15)6-9-3-4-11-12(5-9)19-8-18-11/h3-5,7H,2,6,8H2,1H3