4-[(E)-2-(6-chloranyl-2-ethyl-cyclohexa-2,4-dien-1-yl)ethenyl]pyrimidine

Systemtic Name: 4-[(E)-2-(6-chloranyl-2-ethyl-cyclohexa-2,4-dien-1-yl)ethenyl]pyrimidine Openeye Name: 4-[(E)-2-(6-chloro-2-ethyl-cyclohexa-2,4-dien-1-yl)vinyl]pyrimidine CAS Name: 4-[(E)-2-(6-chloro-2-ethyl-1-cyclohexa-2,4-dienyl)ethenyl]pyrimidine IUPAC Name: 4-[(E)-2-(6-chloro-2-ethylcyclohexa-2,4-dien-1-yl)ethenyl]pyrimidine Traditional Name: 4-[(E)-2-(6-chloro-2-ethyl-cyclohexa-2,4-dien-1-yl)vinyl]pyrimidine Formula: C14H15ClN2 MolecularWeight: 246.7353

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(C1C=CC2=NC=NC=C2)Cl

Isomeric SMILES

CCC1=CC=CC(C1/C=C/C2=NC=NC=C2)Cl

InChI

InChI=1S/C14H15ClN2/c1-2-11-4-3-5-14(15)13(11)7-6-12-8-9-16-10-17-12/h3-10,13-14H,2H2,1H3/b7-6+